1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane

C6H5F9 — CID 18520945

IUPAC1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane
SMILESCC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-3(7,8)2-4(9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyYZUZDHNJWXJOSE-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.86
Rot. Bonds2

About 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane

1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane (PubChem CID 18520945) has the molecular formula C6H5F9 and a molecular weight of 248.09 g/mol. Its IUPAC name is 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane
PubChem CID18520945
Molecular FormulaC6H5F9
Molecular Weight248.09 g/mol
Exact Mass248.02
IUPAC Name1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane
SMILESCC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c1-3(7,8)2-4(9,5(10,11)12)6(13,14)15/h2H2,1H3
InChIKeyYZUZDHNJWXJOSE-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane (CID 18520945) is 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane is CC(F)(F)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane?
The InChIKey is YZUZDHNJWXJOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9/c1-3(7,8)2-4(9,5(10,11)12)6(13,14)15/h2H2,1H3.
What are the key properties of 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane?
1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane has a molecular weight of 248.09 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,4,4-hexafluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 18520945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).