4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine

C13H24F3NO — CID 123640175

IUPAC4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCCCOC1CCC(N)CC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyHOCVZGIHWMNSAR-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds6

About 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine

4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 123640175) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID123640175
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCCCCOC1CCC(N)CC1C(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h10-12H,2-9,17H2,1H3
InChIKeyHOCVZGIHWMNSAR-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine 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-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine (CID 123640175) is 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine is CCCCCCOC1CCC(N)CC1C(F)(F)F.
What is the InChIKey of 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is HOCVZGIHWMNSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-3-4-5-8-18-12-7-6-10(17)9-11(12)13(14,15)16/h10-12H,2-9,17H2,1H3.
What are the key properties of 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine?
4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 123640175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).