5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one

C14H25FO2 — CID 58129618

IUPAC5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one
SMILESCCCOC1CCCCC1CC(=O)CCCF
InChIInChI=1S/C14H25FO2/c1-2-10-17-14-8-4-3-6-12(14)11-13(16)7-5-9-15/h12,14H,2-11H2,1H3
InChIKeyMMDVCSNPPKCFDK-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.68
Rot. Bonds8

About 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one

5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one (PubChem CID 58129618) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one
PubChem CID58129618
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one
SMILESCCCOC1CCCCC1CC(=O)CCCF
InChIInChI=1S/C14H25FO2/c1-2-10-17-14-8-4-3-6-12(14)11-13(16)7-5-9-15/h12,14H,2-11H2,1H3
InChIKeyMMDVCSNPPKCFDK-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-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 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one?
The IUPAC name of 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one (CID 58129618) is 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one.
What is the SMILES notation for 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one?
The canonical SMILES for 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one is CCCOC1CCCCC1CC(=O)CCCF.
What is the InChIKey of 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one?
The InChIKey is MMDVCSNPPKCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-2-10-17-14-8-4-3-6-12(14)11-13(16)7-5-9-15/h12,14H,2-11H2,1H3.
What are the key properties of 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one?
5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one has a molecular weight of 244.35 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-propoxycyclohexyl)pentan-2-one is sourced from PubChem (CID 58129618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).