Cas no 164737-45-5 (2H-Pyrrole,5-(3-fluorophenyl)-3,4-dihydro-(9CI))
164737-45-5 structure
Product Name:2H-Pyrrole,5-(3-fluorophenyl)-3,4-dihydro-(9CI)
CAS No:164737-45-5
MF:C10H10FN
MW:163.191505908966
CID:904839
PubChem ID:12009049
Update Time:2025-04-19
2H-Pyrrole,5-(3-fluorophenyl)-3,4-dihydro-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrole,5-(3-fluorophenyl)-3,4-dihydro-(9CI)
- CHEMBL177876
- 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
- SCHEMBL433117
- DKVORXXCYFHXCN-UHFFFAOYSA-N
- AKOS025213057
- DB-129119
- 5-(3-Fluoro-phenyl)-3,4-dihydro-2H-pyrrole
- 164737-45-5
- MFCD14583046
- SY253284
-
- Inchi： 1S/C10H10FN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1,3-4,7H,2,5-6H2
- InChI Key： DKVORXXCYFHXCN-UHFFFAOYSA-N
- SMILES： FC1=CC=CC(=C1)C1CCCN=1
Computed Properties
- Exact Mass: 163.0798
- Monoisotopic Mass: 163.079727485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 188
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 12.4?2
Experimental Properties
- PSA: 12.36
2H-Pyrrole,5-(3-fluorophenyl)-3,4-dihydro-(9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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