[4-(trifluoromethyl)anilino]carbamic acid

C8H7F3N2O2 — CID 67234974

IUPAC[4-(trifluoromethyl)anilino]carbamic acid
SMILESO=C(O)NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-3-6(4-2-5)12-13-7(14)15/h1-4,12-13H,(H,14,15)
InChIKeyQIQTWYQMYCKPSX-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.30
Rot. Bonds2

About [4-(trifluoromethyl)anilino]carbamic acid

[4-(trifluoromethyl)anilino]carbamic acid (PubChem CID 67234974) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is [4-(trifluoromethyl)anilino]carbamic acid.

Molecular Properties

Compound Name[4-(trifluoromethyl)anilino]carbamic acid
PubChem CID67234974
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name[4-(trifluoromethyl)anilino]carbamic acid
SMILESO=C(O)NNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-3-6(4-2-5)12-13-7(14)15/h1-4,12-13H,(H,14,15)
InChIKeyQIQTWYQMYCKPSX-UHFFFAOYSA-N
XLogP2.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-p-Tolylsemicarbazide
CID 99498
4-(Trifluoromethyl)phenylhydrazine
CID 136200
(4-(Trifluoromethyl)phenyl)hydrazine hydrochloride
CID 24229790
1-Phenyl-2-[4-(trifluoromethyl)phenyl]hydrazine
CID 15526188
2,2,2-trifluoro-N'-[3-(trifluoromethyl)phenyl]acetohydrazide
CID 2305255
Acetic acid, 2-(4-methylphenyl)hydrazide
CID 539992
[4-(Trifluoromethyl)anilino]azanium;chloride
CID 2777644
Methyl 2-(p-tolyl)hydrazine-1-carboxylate
CID 12669539
tert-butyl N-(4-methylanilino)carbamate
CID 20661954
3-[2-(trifluoromethyl)phenyl]-4H-oxatriazol-3-ium-5-one
CID 135464410
3-[3-(trifluoromethyl)phenyl]-4H-oxatriazol-3-ium-5-one
CID 135464723
[2-Fluoro-4-(trifluoromethyl)anilino]azanium;chloride
CID 2774805

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)anilino]carbamic acid?
The IUPAC name of [4-(trifluoromethyl)anilino]carbamic acid (CID 67234974) is [4-(trifluoromethyl)anilino]carbamic acid.
What is the SMILES notation for [4-(trifluoromethyl)anilino]carbamic acid?
The canonical SMILES for [4-(trifluoromethyl)anilino]carbamic acid is O=C(O)NNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of [4-(trifluoromethyl)anilino]carbamic acid?
The InChIKey is QIQTWYQMYCKPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)5-1-3-6(4-2-5)12-13-7(14)15/h1-4,12-13H,(H,14,15).
What are the key properties of [4-(trifluoromethyl)anilino]carbamic acid?
[4-(trifluoromethyl)anilino]carbamic acid has a molecular weight of 220.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)anilino]carbamic acid is sourced from PubChem (CID 67234974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).