1,1-difluoro-3-methylcyclohexane

C7H12F2 — CID 15044192

IUPAC1,1-difluoro-3-methylcyclohexane
SMILESCC1CCCC(F)(F)C1
InChIInChI=1S/C7H12F2/c1-6-3-2-4-7(8,9)5-6/h6H,2-5H2,1H3
InChIKeyZGCJYCWVWYQKEE-UHFFFAOYSA-N
MW134.17 g/mol
LogP2.83
Rot. Bonds

About 1,1-difluoro-3-methylcyclohexane

1,1-difluoro-3-methylcyclohexane (PubChem CID 15044192) has the molecular formula C7H12F2 and a molecular weight of 134.17 g/mol. Its IUPAC name is 1,1-difluoro-3-methylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-3-methylcyclohexane
PubChem CID15044192
Molecular FormulaC7H12F2
Molecular Weight134.17 g/mol
Exact Mass134.09
IUPAC Name1,1-difluoro-3-methylcyclohexane
SMILESCC1CCCC(F)(F)C1
InChIInChI=1S/C7H12F2/c1-6-3-2-4-7(8,9)5-6/h6H,2-5H2,1H3
InChIKeyZGCJYCWVWYQKEE-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-3-methylcyclohexane?
The IUPAC name of 1,1-difluoro-3-methylcyclohexane (CID 15044192) is 1,1-difluoro-3-methylcyclohexane.
What is the SMILES notation for 1,1-difluoro-3-methylcyclohexane?
The canonical SMILES for 1,1-difluoro-3-methylcyclohexane is CC1CCCC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-methylcyclohexane?
The InChIKey is ZGCJYCWVWYQKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2/c1-6-3-2-4-7(8,9)5-6/h6H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-3-methylcyclohexane?
1,1-difluoro-3-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-3-methylcyclohexane is sourced from PubChem (CID 15044192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).