(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid

C11H8F6O2 — CID 125455508

IUPAC(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F6O2/c12-10(13,14)5-8(9(18)19)6-1-3-7(4-2-6)11(15,16)17/h1-4,8H,5H2,(H,18,19)/t8-/m1/s1
InChIKeyCUUBIJYRSMXGQU-MRVPVSSYSA-N
MW286.17 g/mol
LogP3.83
Rot. Bonds3

About (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid

(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid (PubChem CID 125455508) has the molecular formula C11H8F6O2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
PubChem CID125455508
Molecular FormulaC11H8F6O2
Molecular Weight286.17 g/mol
Exact Mass286.04
IUPAC Name(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid
SMILESO=C(O)[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H8F6O2/c12-10(13,14)5-8(9(18)19)6-1-3-7(4-2-6)11(15,16)17/h1-4,8H,5H2,(H,18,19)/t8-/m1/s1
InChIKeyCUUBIJYRSMXGQU-MRVPVSSYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-2-phenylbutanoic acid
CID 59415192
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185
(2S)-4,4,4-trifluoro-2-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]butanoic acid
CID 143878223
2-(4-cyanophenyl)-4,4,4-trifluorobutanoic acid
CID 175737295
(2R)-4,4,4-trifluoro-2-(4-methoxyphenyl)butanoic acid
CID 125456327
3-(4-propan-2-ylphenyl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 69108842
3-[4-(trifluoromethyl)phenyl]pentan-2-one
CID 63196921
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 60998841
2-nitro-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 22285871
(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The IUPAC name of (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid (CID 125455508) is (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid.
What is the SMILES notation for (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The canonical SMILES for (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid is O=C(O)[C@H](CC(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid?
The InChIKey is CUUBIJYRSMXGQU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H8F6O2/c12-10(13,14)5-8(9(18)19)6-1-3-7(4-2-6)11(15,16)17/h1-4,8H,5H2,(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid?
(2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid has a molecular weight of 286.17 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4,4-trifluoro-2-[4-(trifluoromethyl)phenyl]butanoic acid is sourced from PubChem (CID 125455508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).