3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one

C12H10F2O — CID 65174626

IUPAC3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C12H10F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7H,4-6H2
InChIKeyZQLNITZIQLWGAX-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.80
Rot. Bonds2

About 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one

3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one (PubChem CID 65174626) has the molecular formula C12H10F2O and a molecular weight of 208.21 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one
PubChem CID65174626
Molecular FormulaC12H10F2O
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one
SMILESO=C1C=C(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C12H10F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7H,4-6H2
InChIKeyZQLNITZIQLWGAX-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one (CID 65174626) is 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one is O=C1C=C(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one?
The InChIKey is ZQLNITZIQLWGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2O/c13-11-3-1-2-9(12(11)14)6-8-4-5-10(15)7-8/h1-3,7H,4-6H2.
What are the key properties of 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one?
3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one has a molecular weight of 208.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methyl]cyclopent-2-en-1-one is sourced from PubChem (CID 65174626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).