N-[4-(trifluoromethyl)anilino]carbamate

C8H6F3N2O2- — CID 154065276

IUPACN-[4-(trifluoromethyl)anilino]carbamate
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)/p-1
InChIKeyQIQTWYQMYCKPSX-UHFFFAOYSA-M
MW219.14 g/mol
LogP0.97
Rot. Bonds2

About N-[4-(trifluoromethyl)anilino]carbamate

N-[4-(trifluoromethyl)anilino]carbamate (PubChem CID 154065276) has the molecular formula C8H6F3N2O2- and a molecular weight of 219.14 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)anilino]carbamate.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)anilino]carbamate
PubChem CID154065276
Molecular FormulaC8H6F3N2O2-
Molecular Weight219.14 g/mol
Exact Mass219.04
IUPAC NameN-[4-(trifluoromethyl)anilino]carbamate
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)/p-1
InChIKeyQIQTWYQMYCKPSX-UHFFFAOYSA-M
XLogP0.97
TPSA64.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-(Trifluoromethyl)phenyl)hydrazine
CID 98650
2-(Trifluoromethyl)phenylhydrazine
CID 520800
1-p-Tolylsemicarbazide
CID 99498
4-(Trifluoromethyl)phenylhydrazine
CID 136200
(4-(Trifluoromethyl)phenyl)hydrazine hydrochloride
CID 24229790
Dipropan-2-yl 3-(4-methylphenyl)triazane-1,2-dicarboxylate
CID 342007
Hydrazinecarboxaldehyde, 2-(4-methylphenyl)-
CID 123474
Ethyl 2-(4-Cyanophenyl)hydrazinecarboxylate
CID 85974302
2-Phenylhydrazinecarboxylate
CID 23000131
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)anilino]carbamate?
The IUPAC name of N-[4-(trifluoromethyl)anilino]carbamate (CID 154065276) is N-[4-(trifluoromethyl)anilino]carbamate.
What is the SMILES notation for N-[4-(trifluoromethyl)anilino]carbamate?
The canonical SMILES for N-[4-(trifluoromethyl)anilino]carbamate is O=C([O-])NNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethyl)anilino]carbamate?
The InChIKey is QIQTWYQMYCKPSX-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of N-[4-(trifluoromethyl)anilino]carbamate?
N-[4-(trifluoromethyl)anilino]carbamate has a molecular weight of 219.14 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)anilino]carbamate is sourced from PubChem (CID 154065276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).