Cas no 71580-25-1 (1H-Pyrrole, 3-(difluoromethyl)-)
71580-25-1 structure
Product Name:1H-Pyrrole, 3-(difluoromethyl)-
CAS No:71580-25-1
MF:C5H5F2N
MW:117.096708059311
CID:3234612
PubChem ID:55286956
Update Time:2025-04-21
1H-Pyrrole, 3-(difluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 3-(difluoromethyl)-
- AKOS006355769
- VGSOHFZARXAKLJ-UHFFFAOYSA-N
- 3-(Difluoromethyl)-1H-pyrrole
- 3-(difluoromethyl)-pyrrole
- SCHEMBL3265017
- 71580-25-1
-
- Inchi： 1S/C5H5F2N/c6-5(7)4-1-2-8-3-4/h1-3,5,8H
- InChI Key： VGSOHFZARXAKLJ-UHFFFAOYSA-N
- SMILES： FC(C1C=CNC=1)F
Computed Properties
- Exact Mass: 117.03900549Da
- Monoisotopic Mass: 117.03900549Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 74.8
- 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: 1.3
- Topological Polar Surface Area: 15.8?2
1H-Pyrrole, 3-(difluoromethyl)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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