2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone

C13H12ClFO — CID 103448194

IUPAC2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1=CCCC1
InChIInChI=1S/C13H12ClFO/c14-11-7-3-6-10(13(11)15)8-12(16)9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2
InChIKeyLSQNLQRUUICREH-UHFFFAOYSA-N
MW238.69 g/mol
LogP3.70
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone

2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone (PubChem CID 103448194) has the molecular formula C13H12ClFO and a molecular weight of 238.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
PubChem CID103448194
Molecular FormulaC13H12ClFO
Molecular Weight238.69 g/mol
Exact Mass238.06
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1=CCCC1
InChIInChI=1S/C13H12ClFO/c14-11-7-3-6-10(13(11)15)8-12(16)9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2
InChIKeyLSQNLQRUUICREH-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.69
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopenten-1-yl)-2-(2,4-dichlorophenyl)ethanone
CID 103448039
2-(2-chloro-4-methylphenyl)-1-(cyclopenten-1-yl)ethanone
CID 106867186
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
1-(cyclohexen-1-yl)-2-(2-methylphenyl)ethanone
CID 62077966
2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
CID 102865627
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone (CID 103448194) is 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone is O=C(Cc1cccc(Cl)c1F)C1=CCCC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
The InChIKey is LSQNLQRUUICREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFO/c14-11-7-3-6-10(13(11)15)8-12(16)9-4-1-2-5-9/h3-4,6-7H,1-2,5,8H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone has a molecular weight of 238.69 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 103448194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).