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

C7H8F2O2 — CID 102531481

IUPAC3-(difluoromethoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OC(F)F)CCC1
InChIInChI=1S/C7H8F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h4,7H,1-3H2
InChIKeyPGVMNZUPTRYVTR-UHFFFAOYSA-N
MW162.14 g/mol
LogP1.86
Rot. Bonds2

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

3-(difluoromethoxy)cyclohex-2-en-1-one (PubChem CID 102531481) has the molecular formula C7H8F2O2 and a molecular weight of 162.14 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclohex-2-en-1-one
PubChem CID102531481
Molecular FormulaC7H8F2O2
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name3-(difluoromethoxy)cyclohex-2-en-1-one
SMILESO=C1C=C(OC(F)F)CCC1
InChIInChI=1S/C7H8F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h4,7H,1-3H2
InChIKeyPGVMNZUPTRYVTR-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 ≤ 500162.14
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)cyclohex-2-en-1-one?
The IUPAC name of 3-(difluoromethoxy)cyclohex-2-en-1-one (CID 102531481) is 3-(difluoromethoxy)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(difluoromethoxy)cyclohex-2-en-1-one?
The canonical SMILES for 3-(difluoromethoxy)cyclohex-2-en-1-one is O=C1C=C(OC(F)F)CCC1.
What is the InChIKey of 3-(difluoromethoxy)cyclohex-2-en-1-one?
The InChIKey is PGVMNZUPTRYVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-7(9)11-6-3-1-2-5(10)4-6/h4,7H,1-3H2.
What are the key properties of 3-(difluoromethoxy)cyclohex-2-en-1-one?
3-(difluoromethoxy)cyclohex-2-en-1-one has a molecular weight of 162.14 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)cyclohex-2-en-1-one is sourced from PubChem (CID 102531481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).