1,1-difluoro-4,5-dimethylhexane

C8H16F2 — CID 137419857

IUPAC1,1-difluoro-4,5-dimethylhexane
SMILESCC(C)C(C)CCC(F)F
InChIInChI=1S/C8H16F2/c1-6(2)7(3)4-5-8(9)10/h6-8H,4-5H2,1-3H3
InChIKeyBSAHPDFGBYOFFF-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.32
Rot. Bonds4

About 1,1-difluoro-4,5-dimethylhexane

1,1-difluoro-4,5-dimethylhexane (PubChem CID 137419857) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 1,1-difluoro-4,5-dimethylhexane.

Molecular Properties

Compound Name1,1-difluoro-4,5-dimethylhexane
PubChem CID137419857
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name1,1-difluoro-4,5-dimethylhexane
SMILESCC(C)C(C)CCC(F)F
InChIInChI=1S/C8H16F2/c1-6(2)7(3)4-5-8(9)10/h6-8H,4-5H2,1-3H3
InChIKeyBSAHPDFGBYOFFF-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,5-dimethylhexane?
The IUPAC name of 1,1-difluoro-4,5-dimethylhexane (CID 137419857) is 1,1-difluoro-4,5-dimethylhexane.
What is the SMILES notation for 1,1-difluoro-4,5-dimethylhexane?
The canonical SMILES for 1,1-difluoro-4,5-dimethylhexane is CC(C)C(C)CCC(F)F.
What is the InChIKey of 1,1-difluoro-4,5-dimethylhexane?
The InChIKey is BSAHPDFGBYOFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-6(2)7(3)4-5-8(9)10/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-4,5-dimethylhexane?
1,1-difluoro-4,5-dimethylhexane has a molecular weight of 150.21 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,5-dimethylhexane is sourced from PubChem (CID 137419857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).