[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid

C9H7F3N2O3 — CID 18543052

IUPAC[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)7(15)13-5-1-3-6(4-2-5)14-8(16)17/h1-4,14H,(H,13,15)(H,16,17)
InChIKeyZPJZNEHQWFJZAE-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.28
Rot. Bonds2

About [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid

[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid (PubChem CID 18543052) has the molecular formula C9H7F3N2O3 and a molecular weight of 248.16 g/mol. Its IUPAC name is [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
PubChem CID18543052
Molecular FormulaC9H7F3N2O3
Molecular Weight248.16 g/mol
Exact Mass248.04
IUPAC Name[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H7F3N2O3/c10-9(11,12)7(15)13-5-1-3-6(4-2-5)14-8(16)17/h1-4,14H,(H,13,15)(H,16,17)
InChIKeyZPJZNEHQWFJZAE-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2-methyl-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933208
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
2,2,2-trifluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 141369710
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
2,3-difluoro-3-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enoic acid
CID 71391668
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
2,2,2-trifluoro-N-(4-nitrophenyl)acetamide
CID 616367
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid?
The IUPAC name of [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid (CID 18543052) is [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid.
What is the SMILES notation for [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid?
The canonical SMILES for [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid is O=C(O)Nc1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid?
The InChIKey is ZPJZNEHQWFJZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O3/c10-9(11,12)7(15)13-5-1-3-6(4-2-5)14-8(16)17/h1-4,14H,(H,13,15)(H,16,17).
What are the key properties of [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid?
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid has a molecular weight of 248.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid is sourced from PubChem (CID 18543052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).