3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one

C10H14F3NO — CID 165496712

IUPAC3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCC(C(F)(F)F)C(N2CCC2)C1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)8-3-2-7(15)6-9(8)14-4-1-5-14/h8-9H,1-6H2
InChIKeyAQJGUDIFIKKICD-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.99
Rot. Bonds1

About 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one

3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one (PubChem CID 165496712) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one.

Molecular Properties

Compound Name3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one
PubChem CID165496712
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one
SMILESO=C1CCC(C(F)(F)F)C(N2CCC2)C1
InChIInChI=1S/C10H14F3NO/c11-10(12,13)8-3-2-7(15)6-9(8)14-4-1-5-14/h8-9H,1-6H2
InChIKeyAQJGUDIFIKKICD-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one 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 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one?
The IUPAC name of 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one (CID 165496712) is 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one.
What is the SMILES notation for 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one?
The canonical SMILES for 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one is O=C1CCC(C(F)(F)F)C(N2CCC2)C1.
What is the InChIKey of 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one?
The InChIKey is AQJGUDIFIKKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c11-10(12,13)8-3-2-7(15)6-9(8)14-4-1-5-14/h8-9H,1-6H2.
What are the key properties of 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one?
3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one has a molecular weight of 221.22 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-one is sourced from PubChem (CID 165496712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).