1,2-difluoro-1,3-dimethylcyclohexane

C8H14F2 — CID 134377753

IUPAC1,2-difluoro-1,3-dimethylcyclohexane
SMILESCC1CCCC(C)(F)C1F
InChIInChI=1S/C8H14F2/c1-6-4-3-5-8(2,10)7(6)9/h6-7H,3-5H2,1-2H3
InChIKeyOUWULCIRIAQDTL-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.87
Rot. Bonds

About 1,2-difluoro-1,3-dimethylcyclohexane

1,2-difluoro-1,3-dimethylcyclohexane (PubChem CID 134377753) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,2-difluoro-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-difluoro-1,3-dimethylcyclohexane
PubChem CID134377753
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,2-difluoro-1,3-dimethylcyclohexane
SMILESCC1CCCC(C)(F)C1F
InChIInChI=1S/C8H14F2/c1-6-4-3-5-8(2,10)7(6)9/h6-7H,3-5H2,1-2H3
InChIKeyOUWULCIRIAQDTL-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-1,3-dimethylcyclohexane?
The IUPAC name of 1,2-difluoro-1,3-dimethylcyclohexane (CID 134377753) is 1,2-difluoro-1,3-dimethylcyclohexane.
What is the SMILES notation for 1,2-difluoro-1,3-dimethylcyclohexane?
The canonical SMILES for 1,2-difluoro-1,3-dimethylcyclohexane is CC1CCCC(C)(F)C1F.
What is the InChIKey of 1,2-difluoro-1,3-dimethylcyclohexane?
The InChIKey is OUWULCIRIAQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-6-4-3-5-8(2,10)7(6)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1,2-difluoro-1,3-dimethylcyclohexane?
1,2-difluoro-1,3-dimethylcyclohexane has a molecular weight of 148.20 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-1,3-dimethylcyclohexane is sourced from PubChem (CID 134377753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).