1,1,1,2,3,3-hexafluoro-4-methylpentane

C6H8F6 — CID 15576969

IUPAC1,1,1,2,3,3-hexafluoro-4-methylpentane
SMILESCC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-3(2)5(8,9)4(7)6(10,11)12/h3-4H,1-2H3
InChIKeyDIRVZUHAKXDFGZ-UHFFFAOYSA-N
MW194.12 g/mol
LogP3.18
Rot. Bonds2

About 1,1,1,2,3,3-hexafluoro-4-methylpentane

1,1,1,2,3,3-hexafluoro-4-methylpentane (PubChem CID 15576969) has the molecular formula C6H8F6 and a molecular weight of 194.12 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-4-methylpentane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-4-methylpentane
PubChem CID15576969
Molecular FormulaC6H8F6
Molecular Weight194.12 g/mol
Exact Mass194.05
IUPAC Name1,1,1,2,3,3-hexafluoro-4-methylpentane
SMILESCC(C)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H8F6/c1-3(2)5(8,9)4(7)6(10,11)12/h3-4H,1-2H3
InChIKeyDIRVZUHAKXDFGZ-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methylpentane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-4-methylpentane (CID 15576969) is 1,1,1,2,3,3-hexafluoro-4-methylpentane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-4-methylpentane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-4-methylpentane is CC(C)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-4-methylpentane?
The InChIKey is DIRVZUHAKXDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6/c1-3(2)5(8,9)4(7)6(10,11)12/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-4-methylpentane?
1,1,1,2,3,3-hexafluoro-4-methylpentane has a molecular weight of 194.12 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-4-methylpentane is sourced from PubChem (CID 15576969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).