1,1-difluoro-4-methylidenecyclohexane

C7H10F2 — CID 57493857

IUPAC1,1-difluoro-4-methylidenecyclohexane
SMILESC=C1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h1-5H2
InChIKeyUANXQYTXUDFBKW-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.75
Rot. Bonds

About 1,1-difluoro-4-methylidenecyclohexane

1,1-difluoro-4-methylidenecyclohexane (PubChem CID 57493857) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 1,1-difluoro-4-methylidenecyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-methylidenecyclohexane
PubChem CID57493857
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name1,1-difluoro-4-methylidenecyclohexane
SMILESC=C1CCC(F)(F)CC1
InChIInChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h1-5H2
InChIKeyUANXQYTXUDFBKW-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.15
LogP ≤ 52.75
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 1,1-difluoro-4-methylidenecyclohexane?
The IUPAC name of 1,1-difluoro-4-methylidenecyclohexane (CID 57493857) is 1,1-difluoro-4-methylidenecyclohexane.
What is the SMILES notation for 1,1-difluoro-4-methylidenecyclohexane?
The canonical SMILES for 1,1-difluoro-4-methylidenecyclohexane is C=C1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methylidenecyclohexane?
The InChIKey is UANXQYTXUDFBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-6-2-4-7(8,9)5-3-6/h1-5H2.
What are the key properties of 1,1-difluoro-4-methylidenecyclohexane?
1,1-difluoro-4-methylidenecyclohexane has a molecular weight of 132.15 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylidenecyclohexane is sourced from PubChem (CID 57493857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).