2,4-difluoro-1-methylidenecyclohexane

C7H10F2 — CID 90731987

IUPAC2,4-difluoro-1-methylidenecyclohexane
SMILESC=C1CCC(F)CC1F
InChIInChI=1S/C7H10F2/c1-5-2-3-6(8)4-7(5)9/h6-7H,1-4H2
InChIKeyAPYHXSTXVFIDGT-UHFFFAOYSA-N
MW132.15 g/mol
LogP2.40
Rot. Bonds

About 2,4-difluoro-1-methylidenecyclohexane

2,4-difluoro-1-methylidenecyclohexane (PubChem CID 90731987) has the molecular formula C7H10F2 and a molecular weight of 132.15 g/mol. Its IUPAC name is 2,4-difluoro-1-methylidenecyclohexane.

Molecular Properties

Compound Name2,4-difluoro-1-methylidenecyclohexane
PubChem CID90731987
Molecular FormulaC7H10F2
Molecular Weight132.15 g/mol
Exact Mass132.08
IUPAC Name2,4-difluoro-1-methylidenecyclohexane
SMILESC=C1CCC(F)CC1F
InChIInChI=1S/C7H10F2/c1-5-2-3-6(8)4-7(5)9/h6-7H,1-4H2
InChIKeyAPYHXSTXVFIDGT-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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 2,4-difluoro-1-methylidenecyclohexane?
The IUPAC name of 2,4-difluoro-1-methylidenecyclohexane (CID 90731987) is 2,4-difluoro-1-methylidenecyclohexane.
What is the SMILES notation for 2,4-difluoro-1-methylidenecyclohexane?
The canonical SMILES for 2,4-difluoro-1-methylidenecyclohexane is C=C1CCC(F)CC1F.
What is the InChIKey of 2,4-difluoro-1-methylidenecyclohexane?
The InChIKey is APYHXSTXVFIDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2/c1-5-2-3-6(8)4-7(5)9/h6-7H,1-4H2.
What are the key properties of 2,4-difluoro-1-methylidenecyclohexane?
2,4-difluoro-1-methylidenecyclohexane has a molecular weight of 132.15 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylidenecyclohexane is sourced from PubChem (CID 90731987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).