Cas no 85571-87-5 (BUTANOIC ACID, 4,4,4-TRIFLUORO-3-METHYL-, ETHYL ESTER, (S)-)
85571-87-5 structure
Product Name:BUTANOIC ACID, 4,4,4-TRIFLUORO-3-METHYL-, ETHYL ESTER, (S)-
CAS No:85571-87-5
MF:C7H11F3O2
MW:184.156253099442
CID:3404101
PubChem ID:7000142
Update Time:2025-04-21
BUTANOIC ACID, 4,4,4-TRIFLUORO-3-METHYL-, ETHYL ESTER, (S)- Chemical and Physical Properties
Names and Identifiers
-
- BUTANOIC ACID, 4,4,4-TRIFLUORO-3-METHYL-, ETHYL ESTER, (S)-
- Butanoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (S)- (9CI)
- ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate
- DTXSID301188783
- SRVTXLPAWBTQSA-YFKPBYRVSA-N
- SCHEMBL1237869
- 85571-87-5
-
- Inchi： 1S/C7H11F3O2/c1-3-12-6(11)4-5(2)7(8,9)10/h5H,3-4H2,1-2H3/t5-/m0/s1
- InChI Key： SRVTXLPAWBTQSA-YFKPBYRVSA-N
- SMILES： C(OCC)(=O)C[C@H](C)C(F)(F)F
Computed Properties
- Exact Mass: 184.07111408Da
- Monoisotopic Mass: 184.07111408Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 153
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 26.3?2
BUTANOIC ACID, 4,4,4-TRIFLUORO-3-METHYL-, ETHYL ESTER, (S)- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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