2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

C12H18F3NO2 — CID 63068813

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)7-16(8-5-6-8)10-4-2-1-3-9(10)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyULNUZYAKCHWXOB-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.66
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63068813) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63068813
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)7-16(8-5-6-8)10-4-2-1-3-9(10)11(17)18/h8-10H,1-7H2,(H,17,18)
InChIKeyULNUZYAKCHWXOB-UHFFFAOYSA-N
XLogP2.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid 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 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid (CID 63068813) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ULNUZYAKCHWXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)7-16(8-5-6-8)10-4-2-1-3-9(10)11(17)18/h8-10H,1-7H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).