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

C8H10F2O2 — CID 102193236

IUPAC3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(OC(F)F)CCCC1=O
InChIInChI=1S/C8H10F2O2/c1-5-6(11)3-2-4-7(5)12-8(9)10/h8H,2-4H2,1H3
InChIKeyAZXWJRFHZDMGDT-UHFFFAOYSA-N
MW176.16 g/mol
LogP2.25
Rot. Bonds2

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

3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one (PubChem CID 102193236) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one
PubChem CID102193236
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one
SMILESCC1=C(OC(F)F)CCCC1=O
InChIInChI=1S/C8H10F2O2/c1-5-6(11)3-2-4-7(5)12-8(9)10/h8H,2-4H2,1H3
InChIKeyAZXWJRFHZDMGDT-UHFFFAOYSA-N
XLogP2.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one?
The IUPAC name of 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one (CID 102193236) is 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one?
The canonical SMILES for 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one is CC1=C(OC(F)F)CCCC1=O.
What is the InChIKey of 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one?
The InChIKey is AZXWJRFHZDMGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-5-6(11)3-2-4-7(5)12-8(9)10/h8H,2-4H2,1H3.
What are the key properties of 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one?
3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one has a molecular weight of 176.16 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methylcyclohex-2-en-1-one is sourced from PubChem (CID 102193236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).