2,2-difluoroethylidenecyclohexane

C8H12F2 — CID 57129017

IUPAC2,2-difluoroethylidenecyclohexane
SMILESFC(F)C=C1CCCCC1
InChIInChI=1S/C8H12F2/c9-8(10)6-7-4-2-1-3-5-7/h6,8H,1-5H2
InChIKeyGNIRDBSSCXGIRN-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.14
Rot. Bonds1

About 2,2-difluoroethylidenecyclohexane

2,2-difluoroethylidenecyclohexane (PubChem CID 57129017) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 2,2-difluoroethylidenecyclohexane.

Molecular Properties

Compound Name2,2-difluoroethylidenecyclohexane
PubChem CID57129017
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name2,2-difluoroethylidenecyclohexane
SMILESFC(F)C=C1CCCCC1
InChIInChI=1S/C8H12F2/c9-8(10)6-7-4-2-1-3-5-7/h6,8H,1-5H2
InChIKeyGNIRDBSSCXGIRN-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethylidenecyclohexane?
The IUPAC name of 2,2-difluoroethylidenecyclohexane (CID 57129017) is 2,2-difluoroethylidenecyclohexane.
What is the SMILES notation for 2,2-difluoroethylidenecyclohexane?
The canonical SMILES for 2,2-difluoroethylidenecyclohexane is FC(F)C=C1CCCCC1.
What is the InChIKey of 2,2-difluoroethylidenecyclohexane?
The InChIKey is GNIRDBSSCXGIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c9-8(10)6-7-4-2-1-3-5-7/h6,8H,1-5H2.
What are the key properties of 2,2-difluoroethylidenecyclohexane?
2,2-difluoroethylidenecyclohexane has a molecular weight of 146.18 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethylidenecyclohexane is sourced from PubChem (CID 57129017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).