2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid

C14H22F3NO2 — CID 63068984

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H22F3NO2/c1-2-9-3-6-11(13(19)20)12(7-9)18(10-4-5-10)8-14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyHKEOSZDSDJRRSH-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.29
Rot. Bonds5

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid (PubChem CID 63068984) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
PubChem CID63068984
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid
SMILESCCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H22F3NO2/c1-2-9-3-6-11(13(19)20)12(7-9)18(10-4-5-10)8-14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20)
InChIKeyHKEOSZDSDJRRSH-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-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]-4-ethylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid (CID 63068984) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid is CCC1CCC(C(=O)O)C(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
The InChIKey is HKEOSZDSDJRRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-2-9-3-6-11(13(19)20)12(7-9)18(10-4-5-10)8-14(15,16)17/h9-12H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4-ethylcyclohexane-1-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.29, 5 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]-4-ethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63068984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).