2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate

C11H15F6NO3 — CID 65173974

IUPAC2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)OCC(F)(F)F
InChIInChI=1S/C11H15F6NO3/c12-10(13,14)5-20-8-3-1-2-7(4-8)18-9(19)21-6-11(15,16)17/h7-8H,1-6H2,(H,18,19)
InChIKeyHSZJLWAVOZJVDQ-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.16
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate

2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate (PubChem CID 65173974) has the molecular formula C11H15F6NO3 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
PubChem CID65173974
Molecular FormulaC11H15F6NO3
Molecular Weight323.23 g/mol
Exact Mass323.10
IUPAC Name2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)OCC(F)(F)F
InChIInChI=1S/C11H15F6NO3/c12-10(13,14)5-20-8-3-1-2-7(4-8)18-9(19)21-6-11(15,16)17/h7-8H,1-6H2,(H,18,19)
InChIKeyHSZJLWAVOZJVDQ-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]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

2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
CID 61068490
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431
2-amino-2-cyclopropyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 60865754
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
(2S,3S)-2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 61155302
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
CID 78982699
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]thiomorpholine-3-carboxamide
CID 82905448

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate (CID 65173974) is 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate is O=C(NC1CCCC(OCC(F)(F)F)C1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate?
The InChIKey is HSZJLWAVOZJVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO3/c12-10(13,14)5-20-8-3-1-2-7(4-8)18-9(19)21-6-11(15,16)17/h7-8H,1-6H2,(H,18,19).
What are the key properties of 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate?
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate has a molecular weight of 323.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate is sourced from PubChem (CID 65173974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).