[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate

C11H19F3N2O2 — CID 175221783

IUPAC[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
SMILESCC(C)(NC1CCC(OC(N)=O)CC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,11(12,13)14)16-7-3-5-8(6-4-7)18-9(15)17/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyIMKDOVPBTWMDGC-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.32
Rot. Bonds3

About [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate

[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate (PubChem CID 175221783) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
PubChem CID175221783
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
SMILESCC(C)(NC1CCC(OC(N)=O)CC1)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-10(2,11(12,13)14)16-7-3-5-8(6-4-7)18-9(15)17/h7-8,16H,3-6H2,1-2H3,(H2,15,17)
InChIKeyIMKDOVPBTWMDGC-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The IUPAC name of [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate (CID 175221783) is [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate is CC(C)(NC1CCC(OC(N)=O)CC1)C(F)(F)F.
What is the InChIKey of [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The InChIKey is IMKDOVPBTWMDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,11(12,13)14)16-7-3-5-8(6-4-7)18-9(15)17/h7-8,16H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate has a molecular weight of 268.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1,1-trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate is sourced from PubChem (CID 175221783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).