2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone

C13H14ClFO2 — CID 102857313

IUPAC2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2cccc(Cl)c2F)CCC1
InChIInChI=1S/C13H14ClFO2/c1-17-13(6-3-7-13)11(16)8-9-4-2-5-10(14)12(9)15/h2,4-5H,3,6-8H2,1H3
InChIKeyWRPLFPCHRAEALH-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (PubChem CID 102857313) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
PubChem CID102857313
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
SMILESCOC1(C(=O)Cc2cccc(Cl)c2F)CCC1
InChIInChI=1S/C13H14ClFO2/c1-17-13(6-3-7-13)11(16)8-9-4-2-5-10(14)12(9)15/h2,4-5H,3,6-8H2,1H3
InChIKeyWRPLFPCHRAEALH-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)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-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
2-(3-chloro-2-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 102857332
2-(2-bromo-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750542
1-[1-(aminomethyl)cyclopentyl]-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865265
2-(4-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116706780
2-(4-chloro-3-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 107884128
2-(2-chloro-6-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749639
2-(4-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone
CID 116707049
2-(5-chlorothiophen-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707079
2-(2-chloro-4-fluorophenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanone
CID 116750372
2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethanone
CID 116750408

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone (CID 102857313) is 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is COC1(C(=O)Cc2cccc(Cl)c2F)CCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
The InChIKey is WRPLFPCHRAEALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c1-17-13(6-3-7-13)11(16)8-9-4-2-5-10(14)12(9)15/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone has a molecular weight of 256.70 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 102857313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).