phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate

C15H18F3NO2 — CID 135154221

IUPACphenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
SMILESO=C(N[C@@H](C1CCCCC1)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)19-14(20)21-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,19,20)/t13-/m0/s1
InChIKeyDEKYSYSDRQLAAF-ZDUSSCGKSA-N
MW301.31 g/mol
LogP4.29
Rot. Bonds3

About phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate

phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate (PubChem CID 135154221) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
PubChem CID135154221
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Namephenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate
SMILESO=C(N[C@@H](C1CCCCC1)C(F)(F)F)Oc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)19-14(20)21-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,19,20)/t13-/m0/s1
InChIKeyDEKYSYSDRQLAAF-ZDUSSCGKSA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 61124032
phenyl N-cyclooctylcarbamate
CID 60636968
phenyl N-cyclopentylcarbamate
CID 12791466
N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
CID 11076093
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-2-pyridin-4-ylacetamide
CID 122136273
diphenyl 2-cyclopentylpropanedioate
CID 102478722
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
phenyl N-[1-(cyclohexylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 3136694
phenyl N-(4-cyclohexylphenyl)carbamate
CID 176960399
(3-phenylphenyl) N-cyclopentylcarbamate
CID 24881674
phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate?
The IUPAC name of phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate (CID 135154221) is phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate.
What is the SMILES notation for phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate?
The canonical SMILES for phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate is O=C(N[C@@H](C1CCCCC1)C(F)(F)F)Oc1ccccc1.
What is the InChIKey of phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate?
The InChIKey is DEKYSYSDRQLAAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)13(11-7-3-1-4-8-11)19-14(20)21-12-9-5-2-6-10-12/h2,5-6,9-11,13H,1,3-4,7-8H2,(H,19,20)/t13-/m0/s1.
What are the key properties of phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate?
phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate has a molecular weight of 301.31 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S)-1-cyclohexyl-2,2,2-trifluoroethyl]carbamate is sourced from PubChem (CID 135154221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).