1,1,1,5,5,5-hexafluoro-2-methylpentane

C6H8F6 — CID 12578244

IUPAC1,1,1,5,5,5-hexafluoro-2-methylpentane
SMILESCC(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-4(6(10,11)12)2-3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyZVEAVWJAOLJGIP-UHFFFAOYSA-N
MW194.12 g/mol
LogP3.53
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-2-methylpentane

1,1,1,5,5,5-hexafluoro-2-methylpentane (PubChem CID 12578244) has the molecular formula C6H8F6 and a molecular weight of 194.12 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-2-methylpentane.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-2-methylpentane
PubChem CID12578244
Molecular FormulaC6H8F6
Molecular Weight194.12 g/mol
Exact Mass194.05
IUPAC Name1,1,1,5,5,5-hexafluoro-2-methylpentane
SMILESCC(CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-4(6(10,11)12)2-3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyZVEAVWJAOLJGIP-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1,1,5,5,5-hexafluoro-2-methylpentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-2-methylpentane?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-2-methylpentane (CID 12578244) is 1,1,1,5,5,5-hexafluoro-2-methylpentane.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-2-methylpentane?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-2-methylpentane is CC(CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-2-methylpentane?
The InChIKey is ZVEAVWJAOLJGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6/c1-4(6(10,11)12)2-3-5(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 1,1,1,5,5,5-hexafluoro-2-methylpentane?
1,1,1,5,5,5-hexafluoro-2-methylpentane has a molecular weight of 194.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-2-methylpentane is sourced from PubChem (CID 12578244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).