phenyl(1,2,2-trifluoroethyl)carbamic acid

C9H8F3NO2 — CID 126568170

IUPACphenyl(1,2,2-trifluoroethyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)C(F)C(F)F
InChIInChI=1S/C9H8F3NO2/c10-7(11)8(12)13(9(14)15)6-4-2-1-3-5-6/h1-5,7-8H,(H,14,15)
InChIKeySNOVUJJPSNVBFL-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.73
Rot. Bonds3

About phenyl(1,2,2-trifluoroethyl)carbamic acid

phenyl(1,2,2-trifluoroethyl)carbamic acid (PubChem CID 126568170) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is phenyl(1,2,2-trifluoroethyl)carbamic acid.

Molecular Properties

Compound Namephenyl(1,2,2-trifluoroethyl)carbamic acid
PubChem CID126568170
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Namephenyl(1,2,2-trifluoroethyl)carbamic acid
SMILESO=C(O)N(c1ccccc1)C(F)C(F)F
InChIInChI=1S/C9H8F3NO2/c10-7(11)8(12)13(9(14)15)6-4-2-1-3-5-6/h1-5,7-8H,(H,14,15)
InChIKeySNOVUJJPSNVBFL-UHFFFAOYSA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156
(2S)-2-(N-carboxyanilino)-3-phenylpropanoic acid
CID 151199694
2,3,3-trifluoro-N-methyl-N-phenylpropanamide
CID 174784767
(4-phenylphenyl)-propan-2-ylcarbamic acid
CID 118254837
cobalt;bis(diphenylcarbamic acid)
CID 155679078
(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
N-acetyl-2,2-difluoro-N-phenylacetamide
CID 175560848
2-(N-carboxyanilino)-2-oxoacetic acid
CID 69036482
N-benzoyl-N-[4-(dibenzoylamino)phenyl]benzamide
CID 171577154
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
[(N-carboxyanilino)-(N-propoxycarbonylanilino)methyl]-phenylcarbamic acid
CID 139823200
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578

Frequently Asked Questions

What is the IUPAC name of phenyl(1,2,2-trifluoroethyl)carbamic acid?
The IUPAC name of phenyl(1,2,2-trifluoroethyl)carbamic acid (CID 126568170) is phenyl(1,2,2-trifluoroethyl)carbamic acid.
What is the SMILES notation for phenyl(1,2,2-trifluoroethyl)carbamic acid?
The canonical SMILES for phenyl(1,2,2-trifluoroethyl)carbamic acid is O=C(O)N(c1ccccc1)C(F)C(F)F.
What is the InChIKey of phenyl(1,2,2-trifluoroethyl)carbamic acid?
The InChIKey is SNOVUJJPSNVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-7(11)8(12)13(9(14)15)6-4-2-1-3-5-6/h1-5,7-8H,(H,14,15).
What are the key properties of phenyl(1,2,2-trifluoroethyl)carbamic acid?
phenyl(1,2,2-trifluoroethyl)carbamic acid has a molecular weight of 219.16 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1,2,2-trifluoroethyl)carbamic acid is sourced from PubChem (CID 126568170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).