2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate

C11H18F3NO2 — CID 70951802

IUPAC2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCCC1CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-10(16)17-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16)
InChIKeyCNAZZRVDYZYONI-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.25
Rot. Bonds4

About 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate

2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 70951802) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
PubChem CID70951802
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OCCC1CCCCC1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-15-10(16)17-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16)
InChIKeyCNAZZRVDYZYONI-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexylethyl N-(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

1-(2-cyclohexylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 86811886
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-cyclohexylethyl carbonochloridate
CID 19994353
2-(2,2,2-trifluoroethylamino)ethyl cycloheptanecarboxylate
CID 67966979
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2,2,2-trifluoroethylcarbamoyl N-(2,2,2-trifluoroethyl)carbamate
CID 175955697
1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 164747567
but-3-ynyl N-(4-cyclononylbutyl)carbamate
CID 167157610
3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate (CID 70951802) is 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate is O=C(NCC(F)(F)F)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is CNAZZRVDYZYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-15-10(16)17-7-6-9-4-2-1-3-5-9/h9H,1-8H2,(H,15,16).
What are the key properties of 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate?
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 253.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 70951802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).