4,4-difluoro-2-methoxycyclohex-2-en-1-one

C7H8F2O2 — CID 165441539

IUPAC4,4-difluoro-2-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(F)(F)CCC1=O
InChIInChI=1S/C7H8F2O2/c1-11-6-4-7(8,9)3-2-5(6)10/h4H,2-3H2,1H3
InChIKeyRUAVQCCOJGFZBD-UHFFFAOYSA-N
MW162.13 g/mol
LogP1.51
Rot. Bonds1

About 4,4-difluoro-2-methoxycyclohex-2-en-1-one

4,4-difluoro-2-methoxycyclohex-2-en-1-one (PubChem CID 165441539) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is 4,4-difluoro-2-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-difluoro-2-methoxycyclohex-2-en-1-one
PubChem CID165441539
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name4,4-difluoro-2-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(F)(F)CCC1=O
InChIInChI=1S/C7H8F2O2/c1-11-6-4-7(8,9)3-2-5(6)10/h4H,2-3H2,1H3
InChIKeyRUAVQCCOJGFZBD-UHFFFAOYSA-N
XLogP1.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-methoxycyclohex-2-en-1-one?
The IUPAC name of 4,4-difluoro-2-methoxycyclohex-2-en-1-one (CID 165441539) is 4,4-difluoro-2-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 4,4-difluoro-2-methoxycyclohex-2-en-1-one?
The canonical SMILES for 4,4-difluoro-2-methoxycyclohex-2-en-1-one is COC1=CC(F)(F)CCC1=O.
What is the InChIKey of 4,4-difluoro-2-methoxycyclohex-2-en-1-one?
The InChIKey is RUAVQCCOJGFZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O2/c1-11-6-4-7(8,9)3-2-5(6)10/h4H,2-3H2,1H3.
What are the key properties of 4,4-difluoro-2-methoxycyclohex-2-en-1-one?
4,4-difluoro-2-methoxycyclohex-2-en-1-one has a molecular weight of 162.13 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 165441539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).