1-(difluoromethylidene)-4-methylcyclohexane

C8H12F2 — CID 20612495

IUPAC1-(difluoromethylidene)-4-methylcyclohexane
SMILESCC1CCC(=C(F)F)CC1
InChIInChI=1S/C8H12F2/c1-6-2-4-7(5-3-6)8(9)10/h6H,2-5H2,1H3
InChIKeyFJKTWOOZMYQSFT-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.35
Rot. Bonds

About 1-(difluoromethylidene)-4-methylcyclohexane

1-(difluoromethylidene)-4-methylcyclohexane (PubChem CID 20612495) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 1-(difluoromethylidene)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(difluoromethylidene)-4-methylcyclohexane
PubChem CID20612495
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name1-(difluoromethylidene)-4-methylcyclohexane
SMILESCC1CCC(=C(F)F)CC1
InChIInChI=1S/C8H12F2/c1-6-2-4-7(5-3-6)8(9)10/h6H,2-5H2,1H3
InChIKeyFJKTWOOZMYQSFT-UHFFFAOYSA-N
XLogP3.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylidene)-4-methylcyclohexane?
The IUPAC name of 1-(difluoromethylidene)-4-methylcyclohexane (CID 20612495) is 1-(difluoromethylidene)-4-methylcyclohexane.
What is the SMILES notation for 1-(difluoromethylidene)-4-methylcyclohexane?
The canonical SMILES for 1-(difluoromethylidene)-4-methylcyclohexane is CC1CCC(=C(F)F)CC1.
What is the InChIKey of 1-(difluoromethylidene)-4-methylcyclohexane?
The InChIKey is FJKTWOOZMYQSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-6-2-4-7(5-3-6)8(9)10/h6H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylidene)-4-methylcyclohexane?
1-(difluoromethylidene)-4-methylcyclohexane has a molecular weight of 146.18 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylidene)-4-methylcyclohexane is sourced from PubChem (CID 20612495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).