1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone

C13H14F2O2 — CID 115733445

IUPAC1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
SMILESO=C(COc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C13H14F2O2/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeySMKDJTQQEKDALV-UHFFFAOYSA-N
MW240.25 g/mol
LogP3.10
Rot. Bonds4

About 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone

1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone (PubChem CID 115733445) has the molecular formula C13H14F2O2 and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
PubChem CID115733445
Molecular FormulaC13H14F2O2
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone
SMILESO=C(COc1cc(F)ccc1F)C1CCCC1
InChIInChI=1S/C13H14F2O2/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2
InChIKeySMKDJTQQEKDALV-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
2-(2-chloro-4-fluorophenoxy)-1-cyclohexylethanone
CID 115578096
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
1-cyclohexyl-2-(2,4-dichlorophenoxy)ethanone
CID 113220137
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
1-(2,5-difluorophenoxy)pentan-2-one
CID 63269916

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone (CID 115733445) is 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone is O=C(COc1cc(F)ccc1F)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone?
The InChIKey is SMKDJTQQEKDALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2O2/c14-10-5-6-11(15)13(7-10)17-8-12(16)9-3-1-2-4-9/h5-7,9H,1-4,8H2.
What are the key properties of 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone?
1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone has a molecular weight of 240.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2,5-difluorophenoxy)ethanone is sourced from PubChem (CID 115733445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).