1,1-difluoro-2-methylcyclohexane

C7H12F2 — CID 15044189

IUPAC1,1-difluoro-2-methylcyclohexane
SMILESCC1CCCCC1(F)F
InChIInChI=1S/C7H12F2/c1-6-4-2-3-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyCDGCGIDIKQPXSQ-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.83
Rot. Bonds

About 1,1-difluoro-2-methylcyclohexane

1,1-difluoro-2-methylcyclohexane (PubChem CID 15044189) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 1,1-difluoro-2-methylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-2-methylcyclohexane
PubChem CID15044189
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name1,1-difluoro-2-methylcyclohexane
SMILESCC1CCCCC1(F)F
InChIInChI=1S/C7H12F2/c1-6-4-2-3-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyCDGCGIDIKQPXSQ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylcyclohexane?
The IUPAC name of 1,1-difluoro-2-methylcyclohexane (CID 15044189) is 1,1-difluoro-2-methylcyclohexane.
What is the SMILES notation for 1,1-difluoro-2-methylcyclohexane?
The canonical SMILES for 1,1-difluoro-2-methylcyclohexane is CC1CCCCC1(F)F.
What is the InChIKey of 1,1-difluoro-2-methylcyclohexane?
The InChIKey is CDGCGIDIKQPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-6-4-2-3-5-7(6,8)9/h6H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-2-methylcyclohexane?
1,1-difluoro-2-methylcyclohexane has a molecular weight of 134.17 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylcyclohexane is sourced from PubChem (CID 15044189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).