cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate

C14H16F3NO2 — CID 127539075

IUPACcyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18-13(19)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeyGEXADMLKPDJOIW-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.59
Rot. Bonds2

About cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate

cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate (PubChem CID 127539075) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
PubChem CID127539075
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Namecyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate
SMILESO=C(Nc1ccccc1C(F)(F)F)OC1CCCCC1
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18-13(19)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,19)
InChIKeyGEXADMLKPDJOIW-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclohexyl) N-[2-(trifluoromethyl)phenyl]carbamate
CID 79458051
2-(cycloheptylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005582
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
1-(3-cyclopentyloxypropyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 49110487
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127
N-cyclohexyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1182084
cyclopentyl N-(2,4-difluorophenyl)carbamate
CID 113218545
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate (CID 127539075) is cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate is O=C(Nc1ccccc1C(F)(F)F)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate?
The InChIKey is GEXADMLKPDJOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)11-8-4-5-9-12(11)18-13(19)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,18,19).
What are the key properties of cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate?
cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate has a molecular weight of 287.28 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[2-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 127539075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).