1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene

C7H2F10 — CID 14023041

IUPAC1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1,3H
InChIKeyDKYOQEXIIPYKMD-UHFFFAOYSA-N
MW276.07 g/mol
LogP3.73
Rot. Bonds1

About 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene

1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene (PubChem CID 14023041) has the molecular formula C7H2F10 and a molecular weight of 276.07 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene.

Molecular Properties

Compound Name1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene
PubChem CID14023041
Molecular FormulaC7H2F10
Molecular Weight276.07 g/mol
Exact Mass276.00
IUPAC Name1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene
SMILESFC(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1,3H
InChIKeyDKYOQEXIIPYKMD-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.07
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The IUPAC name of 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene (CID 14023041) is 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene.
What is the SMILES notation for 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The canonical SMILES for 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene is FC(F)C1=CC(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene?
The InChIKey is DKYOQEXIIPYKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F10/c8-3(9)2-1-4(10,11)6(14,15)7(16,17)5(2,12)13/h1,3H.
What are the key properties of 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene?
1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene has a molecular weight of 276.07 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,3,4,4,5,5,6,6-octafluorocyclohexene is sourced from PubChem (CID 14023041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).