2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H9F4NO3 — CID 78990578

IUPAC2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C11H9F4NO3/c12-8-4-2-1-3-7(8)10(19)16(5-9(17)18)6-11(13,14)15/h1-4H,5-6H2,(H,17,18)
InChIKeyDIIAJDSCDBRXCC-UHFFFAOYSA-N
MW279.19 g/mol
LogP1.91
Rot. Bonds4

About 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 78990578) has the molecular formula C11H9F4NO3 and a molecular weight of 279.19 g/mol. Its IUPAC name is 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID78990578
Molecular FormulaC11H9F4NO3
Molecular Weight279.19 g/mol
Exact Mass279.05
IUPAC Name2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)c1ccccc1F
InChIInChI=1S/C11H9F4NO3/c12-8-4-2-1-3-7(8)10(19)16(5-9(17)18)6-11(13,14)15/h1-4H,5-6H2,(H,17,18)
InChIKeyDIIAJDSCDBRXCC-UHFFFAOYSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-3-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81481850
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
2-[(2,5-dichlorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990430
2-[[2-(2-fluorophenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265053
2-[3-(2-fluorophenyl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78989745
2-[(2-chloro-5-hydroxybenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 106500354
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78865711
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
2-[(6-methylpyridine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258133
2-[(2,5-dimethylfuran-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990637
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 78990578) is 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)c1ccccc1F.
What is the InChIKey of 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is DIIAJDSCDBRXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO3/c12-8-4-2-1-3-7(8)10(19)16(5-9(17)18)6-11(13,14)15/h1-4H,5-6H2,(H,17,18).
What are the key properties of 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 279.19 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorobenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 78990578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).