3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one

C16H27FO3 — CID 71195637

IUPAC3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one
SMILESCOC1CCC(CCC2CCC(CCF)CC2)C(=O)O1
InChIInChI=1S/C16H27FO3/c1-19-15-9-8-14(16(18)20-15)7-6-12-2-4-13(5-3-12)10-11-17/h12-15H,2-11H2,1H3
InChIKeyDUDHMKLKYQLSCV-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.86
Rot. Bonds6

About 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one

3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one (PubChem CID 71195637) has the molecular formula C16H27FO3 and a molecular weight of 286.39 g/mol. Its IUPAC name is 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one
PubChem CID71195637
Molecular FormulaC16H27FO3
Molecular Weight286.39 g/mol
Exact Mass286.19
IUPAC Name3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one
SMILESCOC1CCC(CCC2CCC(CCF)CC2)C(=O)O1
InChIInChI=1S/C16H27FO3/c1-19-15-9-8-14(16(18)20-15)7-6-12-2-4-13(5-3-12)10-11-17/h12-15H,2-11H2,1H3
InChIKeyDUDHMKLKYQLSCV-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-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 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one?
The IUPAC name of 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one (CID 71195637) is 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one.
What is the SMILES notation for 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one?
The canonical SMILES for 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one is COC1CCC(CCC2CCC(CCF)CC2)C(=O)O1.
What is the InChIKey of 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one?
The InChIKey is DUDHMKLKYQLSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FO3/c1-19-15-9-8-14(16(18)20-15)7-6-12-2-4-13(5-3-12)10-11-17/h12-15H,2-11H2,1H3.
What are the key properties of 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one?
3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one has a molecular weight of 286.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluoroethyl)cyclohexyl]ethyl]-6-methoxyoxan-2-one is sourced from PubChem (CID 71195637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).