3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one

C7H8F2O2 — CID 102193234

IUPAC3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(OC(F)F)CCC1=O
InChIInChI=1S/C7H8F2O2/c1-4-5(10)2-3-6(4)11-7(8)9/h7H,2-3H2,1H3
InChIKeyABTGVFZPKLWDKM-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.86
Rot. Bonds2

About 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one

3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one (PubChem CID 102193234) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one
PubChem CID102193234
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(OC(F)F)CCC1=O
InChIInChI=1S/C7H8F2O2/c1-4-5(10)2-3-6(4)11-7(8)9/h7H,2-3H2,1H3
InChIKeyABTGVFZPKLWDKM-UHFFFAOYSA-N
XLogP1.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one (CID 102193234) is 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one is CC1=C(OC(F)F)CCC1=O.
What is the InChIKey of 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one?
The InChIKey is ABTGVFZPKLWDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-4-5(10)2-3-6(4)11-7(8)9/h7H,2-3H2,1H3.
What are the key properties of 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one?
3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one has a molecular weight of 162.13 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 102193234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).