(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid

C10H9F3O3 — CID 97052451

IUPAC(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCO[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-16-8(9(14)15)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBGIFJRABVHLYND-QMMMGPOBSA-N
MW234.17 g/mol
LogP2.48
Rot. Bonds3

About (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid

(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 97052451) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID97052451
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCO[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c1-16-8(9(14)15)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,1H3,(H,14,15)/t8-/m0/s1
InChIKeyBGIFJRABVHLYND-QMMMGPOBSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 83225734
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
(2S)-2-methoxy-2-(4-phenoxyphenyl)acetic acid
CID 129384207
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
methyl 2-amino-3-[4-(trifluoromethyl)phenyl]butanoate
CID 90894430
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
2-nitro-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 22285871
1-[chloro(methoxy)methyl]-4-(trifluoromethyl)benzene
CID 15657440
(2S)-2-amino-3,3-bis[4-(trifluoromethyl)phenyl]propanoic acid
CID 25107037

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 97052451) is (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid is CO[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is BGIFJRABVHLYND-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-16-8(9(14)15)6-2-4-7(5-3-6)10(11,12)13/h2-5,8H,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid?
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 97052451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).