2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid

C12H12F3NO3 — CID 63702709

IUPAC2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-7(17)16(2)10(11(18)19)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,1-2H3,(H,18,19)
InChIKeyFRBIOFIKNRGMSI-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.31
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid

2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 63702709) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
PubChem CID63702709
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3NO3/c1-7(17)16(2)10(11(18)19)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,1-2H3,(H,18,19)
InChIKeyFRBIOFIKNRGMSI-UHFFFAOYSA-N
XLogP2.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(methyl)amino]-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63701677
2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 154868913
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 63703523
2-[acetyl(ethyl)amino]-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetic acid
CID 115350944
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 63705318

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 63702709) is 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid is CC(=O)N(C)C(C(=O)O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is FRBIOFIKNRGMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c1-7(17)16(2)10(11(18)19)8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,1-2H3,(H,18,19).
What are the key properties of 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid?
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 275.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 63702709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).