4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid

C10H15F3O3 — CID 66818070

IUPAC4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyMAFKVTTXEUSARI-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.46
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid

4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid (PubChem CID 66818070) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid
PubChem CID66818070
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h7-8H,1-6H2,(H,14,15)
InChIKeyMAFKVTTXEUSARI-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2,2-trifluoroethoxymethyl)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 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid (CID 66818070) is 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(COCC(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid?
The InChIKey is MAFKVTTXEUSARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c11-10(12,13)6-16-5-7-1-3-8(4-2-7)9(14)15/h7-8H,1-6H2,(H,14,15).
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid?
4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66818070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).