3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one

C11H8ClFO — CID 39242702

IUPAC3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H8ClFO/c12-9-2-1-3-10(13)11(9)7-4-5-8(14)6-7/h1-3,6H,4-5H2
InChIKeyLHLFLADUINUTOK-UHFFFAOYSA-N
MW210.64 g/mol
LogP3.23
Rot. Bonds1

About 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one

3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one (PubChem CID 39242702) has the molecular formula C11H8ClFO and a molecular weight of 210.64 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one
PubChem CID39242702
Molecular FormulaC11H8ClFO
Molecular Weight210.64 g/mol
Exact Mass210.02
IUPAC Name3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2c(F)cccc2Cl)CC1
InChIInChI=1S/C11H8ClFO/c12-9-2-1-3-10(13)11(9)7-4-5-8(14)6-7/h1-3,6H,4-5H2
InChIKeyLHLFLADUINUTOK-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E)-2-[3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-ylidene]acetic acid
CID 82298291
3-(2-chlorophenyl)cyclopent-2-en-1-one
CID 39238684
2-(2-chloro-6-fluorophenyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 62501584
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
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3-(2-chlorophenyl)cyclohept-2-en-1-one
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3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
5-(2-chloro-6-fluorophenyl)-2,4-dihydro-1H-indazole
CID 175273352
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1-(3-chloro-2-fluorophenyl)piperidin-4-one
CID 28969216
1-chloro-2,3-difluorobenzene
CID 157449386
5-(2-chloro-6-fluorophenyl)-1H-pyrazole
CID 130570620
1-(2-chloro-6-fluorophenyl)-2,5-difluoro-4-methylbenzene
CID 103587069

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one (CID 39242702) is 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one is O=C1C=C(c2c(F)cccc2Cl)CC1.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one?
The InChIKey is LHLFLADUINUTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO/c12-9-2-1-3-10(13)11(9)7-4-5-8(14)6-7/h1-3,6H,4-5H2.
What are the key properties of 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one?
3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one has a molecular weight of 210.64 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 39242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).