[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate

C10H15F3N2O3 — CID 140548048

IUPAC[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
SMILESCN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C10H15F3N2O3/c1-15(8(16)10(11,12)13)6-2-4-7(5-3-6)18-9(14)17/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyPPPIVSHAJAKBKX-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.41
Rot. Bonds2

About [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate

[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate (PubChem CID 140548048) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
PubChem CID140548048
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
SMILESCN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1
InChIInChI=1S/C10H15F3N2O3/c1-15(8(16)10(11,12)13)6-2-4-7(5-3-6)18-9(14)17/h6-7H,2-5H2,1H3,(H2,14,17)
InChIKeyPPPIVSHAJAKBKX-UHFFFAOYSA-N
XLogP1.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[methyl-(2,2,2-trifluoroacetyl)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-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The IUPAC name of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate (CID 140548048) is [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate is CN(C(=O)C(F)(F)F)C1CCC(OC(N)=O)CC1.
What is the InChIKey of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
The InChIKey is PPPIVSHAJAKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15(8(16)10(11,12)13)6-2-4-7(5-3-6)18-9(14)17/h6-7H,2-5H2,1H3,(H2,14,17).
What are the key properties of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate?
[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate has a molecular weight of 268.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate is sourced from PubChem (CID 140548048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).