(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid

C17H15F3O2 — CID 151930463

IUPAC(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid
SMILESC[C@H](C(C(=O)O)c1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3O2/c1-11(17(18,19)20)15(16(21)22)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15H,1H3,(H,21,22)/t11-,15?/m1/s1
InChIKeySYRFXFTUBWVGIF-ZRKZCGFPSA-N
MW308.30 g/mol
LogP4.72
Rot. Bonds4

About (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid

(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid (PubChem CID 151930463) has the molecular formula C17H15F3O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid
PubChem CID151930463
Molecular FormulaC17H15F3O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid
SMILESC[C@H](C(C(=O)O)c1ccc(-c2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3O2/c1-11(17(18,19)20)15(16(21)22)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15H,1H3,(H,21,22)/t11-,15?/m1/s1
InChIKeySYRFXFTUBWVGIF-ZRKZCGFPSA-N
XLogP4.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-(4-ethylphenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89455084
4,4,4-trifluoro-2-(3-fluorophenyl)-3-methylbutanoic acid
CID 146050157
2-(4-chloro-3-fluorophenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 76742081
(2S)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]phenyl]butanoic acid
CID 11652705
(3R)-2-(4-chloro-3-methoxyphenyl)-4,4,4-trifluoro-3-methylbutanoic acid
CID 89455491
methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
(2S,3R)-4,4,4-trifluoro-3-methyl-2-(4-propan-2-ylphenyl)butanoyl chloride
CID 58288347
5,5,5-trifluoro-3-methyl-2-(4-methylphenyl)pentanoic acid
CID 58136361
(1R,2S,3R,4S)-5,5,5-trifluoro-4-methyl-1-phenylpentane-1,2,3-triol
CID 139042519
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
3-(4-phenylphenyl)butan-2-one
CID 66468835
tert-butyl 4,4,4-trifluoro-3-methyl-2-(4-methylphenyl)butanoate
CID 58074550

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid?
The IUPAC name of (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid (CID 151930463) is (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid?
The canonical SMILES for (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid is C[C@H](C(C(=O)O)c1ccc(-c2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid?
The InChIKey is SYRFXFTUBWVGIF-ZRKZCGFPSA-N. The full InChI is InChI=1S/C17H15F3O2/c1-11(17(18,19)20)15(16(21)22)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11,15H,1H3,(H,21,22)/t11-,15?/m1/s1.
What are the key properties of (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid?
(3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid has a molecular weight of 308.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trifluoro-3-methyl-2-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 151930463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).