2-fluoro-2,5-dimethylhexane

C8H17F — CID 59771333

IUPAC2-fluoro-2,5-dimethylhexane
SMILESCC(C)CCC(C)(C)F
InChIInChI=1S/C8H17F/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
InChIKeyJLHYBYBLSZSJJQ-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds3

About 2-fluoro-2,5-dimethylhexane

2-fluoro-2,5-dimethylhexane (PubChem CID 59771333) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 2-fluoro-2,5-dimethylhexane.

Molecular Properties

Compound Name2-fluoro-2,5-dimethylhexane
PubChem CID59771333
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name2-fluoro-2,5-dimethylhexane
SMILESCC(C)CCC(C)(C)F
InChIInChI=1S/C8H17F/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3
InChIKeyJLHYBYBLSZSJJQ-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,5-dimethylhexane?
The IUPAC name of 2-fluoro-2,5-dimethylhexane (CID 59771333) is 2-fluoro-2,5-dimethylhexane.
What is the SMILES notation for 2-fluoro-2,5-dimethylhexane?
The canonical SMILES for 2-fluoro-2,5-dimethylhexane is CC(C)CCC(C)(C)F.
What is the InChIKey of 2-fluoro-2,5-dimethylhexane?
The InChIKey is JLHYBYBLSZSJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-7(2)5-6-8(3,4)9/h7H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-2,5-dimethylhexane?
2-fluoro-2,5-dimethylhexane has a molecular weight of 132.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,5-dimethylhexane is sourced from PubChem (CID 59771333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).