3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid

C11H9F4NO3 — CID 79795980

IUPAC3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H9F4NO3/c1-10(9(18)19,11(13,14)15)16-8(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyZULJHGPKJPUOKI-UHFFFAOYSA-N
MW279.19 g/mol
LogP1.96
Rot. Bonds3

About 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 79795980) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
PubChem CID79795980
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC Name3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)c1ccc(F)cc1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H9F4NO3/c1-10(9(18)19,11(13,14)15)16-8(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,16,17)(H,18,19)
InChIKeyZULJHGPKJPUOKI-UHFFFAOYSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
2-[(3,5-difluorobenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79796236
3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
CID 79795224
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380
2-amino-2-[(4-fluorobenzoyl)amino]propanoic acid
CID 140553951
3,3,3-trifluoro-2-methyl-2-(1H-pyrazole-4-carbonylamino)propanoic acid
CID 79796230
3,3,3-trifluoro-2-[3-(4-fluorophenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 79791686
3,3,3-trifluoro-2-methyl-2-[(3-methylbenzoyl)amino]propanoic acid
CID 79796397
3-[(4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 64670730
2-ethyl-2-[(4-fluorobenzoyl)amino]butanoic acid
CID 79806593
2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 82796858

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid (CID 79795980) is 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid is CC(NC(=O)c1ccc(F)cc1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is ZULJHGPKJPUOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c1-10(9(18)19,11(13,14)15)16-8(17)6-2-4-7(12)5-3-6/h2-5H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 279.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79795980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).