2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone

C15H24F2O2 — CID 114224646

IUPAC2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)CC2CCC(F)(F)C2)CCCCCC1
InChIInChI=1S/C15H24F2O2/c1-19-14(7-4-2-3-5-8-14)13(18)10-12-6-9-15(16,17)11-12/h12H,2-11H2,1H3
InChIKeyRLCPDBIWGDOESO-UHFFFAOYSA-N
MW274.35 g/mol
LogP4.12
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone

2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone (PubChem CID 114224646) has the molecular formula C15H24F2O2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone
PubChem CID114224646
Molecular FormulaC15H24F2O2
Molecular Weight274.35 g/mol
Exact Mass274.17
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone
SMILESCOC1(C(=O)CC2CCC(F)(F)C2)CCCCCC1
InChIInChI=1S/C15H24F2O2/c1-19-14(7-4-2-3-5-8-14)13(18)10-12-6-9-15(16,17)11-12/h12H,2-11H2,1H3
InChIKeyRLCPDBIWGDOESO-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone 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 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone (CID 114224646) is 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone is COC1(C(=O)CC2CCC(F)(F)C2)CCCCCC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone?
The InChIKey is RLCPDBIWGDOESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2O2/c1-19-14(7-4-2-3-5-8-14)13(18)10-12-6-9-15(16,17)11-12/h12H,2-11H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone?
2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone has a molecular weight of 274.35 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(1-methoxycycloheptyl)ethanone is sourced from PubChem (CID 114224646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).