Cas no 1427-85-6 (Tridecanoic acid, 12,12,13,13,13-pentafluoro-)
1427-85-6 structure
Product Name:Tridecanoic acid, 12,12,13,13,13-pentafluoro-
CAS No:1427-85-6
MF:C13H21F5O2
MW:304.296662092209
CID:1312185
PubChem ID:9966218
Update Time:2025-04-20
Tridecanoic acid, 12,12,13,13,13-pentafluoro- Chemical and Physical Properties
Names and Identifiers
-
- Tridecanoic acid, 12,12,13,13,13-pentafluoro-
- 12,12,13,13,13-pentafluorotridecanoic acid
- DTXSID40433454
- 1427-85-6
- NNCXHBMOWOYOGO-UHFFFAOYSA-N
- SCHEMBL5247491
-
- Inchi： 1S/C13H21F5O2/c14-12(15,13(16,17)18)10-8-6-4-2-1-3-5-7-9-11(19)20/h1-10H2,(H,19,20)
- InChI Key： NNCXHBMOWOYOGO-UHFFFAOYSA-N
- SMILES： FC(C(F)(F)F)(CCCCCCCCCCC(=O)O)F
Computed Properties
- Exact Mass: 304.14617072g/mol
- Monoisotopic Mass: 304.14617072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 276
- 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: 5.8
- Topological Polar Surface Area: 37.3?2
Tridecanoic acid, 12,12,13,13,13-pentafluoro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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