1,1,1,4,5,5-hexafluoro-3-methoxypentane

C6H8F6O — CID 54318379

IUPAC1,1,1,4,5,5-hexafluoro-3-methoxypentane
SMILESCOC(CC(F)(F)F)C(F)C(F)F
InChIInChI=1S/C6H8F6O/c1-13-3(2-6(10,11)12)4(7)5(8)9/h3-5H,2H2,1H3
InChIKeySPVNZSRZTZJEMH-UHFFFAOYSA-N
MW210.12 g/mol
LogP2.56
Rot. Bonds4

About 1,1,1,4,5,5-hexafluoro-3-methoxypentane

1,1,1,4,5,5-hexafluoro-3-methoxypentane (PubChem CID 54318379) has the molecular formula C6H8F6O and a molecular weight of 210.12 g/mol. Its IUPAC name is 1,1,1,4,5,5-hexafluoro-3-methoxypentane.

Molecular Properties

Compound Name1,1,1,4,5,5-hexafluoro-3-methoxypentane
PubChem CID54318379
Molecular FormulaC6H8F6O
Molecular Weight210.12 g/mol
Exact Mass210.05
IUPAC Name1,1,1,4,5,5-hexafluoro-3-methoxypentane
SMILESCOC(CC(F)(F)F)C(F)C(F)F
InChIInChI=1S/C6H8F6O/c1-13-3(2-6(10,11)12)4(7)5(8)9/h3-5H,2H2,1H3
InChIKeySPVNZSRZTZJEMH-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.12
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5-hexafluoro-3-methoxypentane?
The IUPAC name of 1,1,1,4,5,5-hexafluoro-3-methoxypentane (CID 54318379) is 1,1,1,4,5,5-hexafluoro-3-methoxypentane.
What is the SMILES notation for 1,1,1,4,5,5-hexafluoro-3-methoxypentane?
The canonical SMILES for 1,1,1,4,5,5-hexafluoro-3-methoxypentane is COC(CC(F)(F)F)C(F)C(F)F.
What is the InChIKey of 1,1,1,4,5,5-hexafluoro-3-methoxypentane?
The InChIKey is SPVNZSRZTZJEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O/c1-13-3(2-6(10,11)12)4(7)5(8)9/h3-5H,2H2,1H3.
What are the key properties of 1,1,1,4,5,5-hexafluoro-3-methoxypentane?
1,1,1,4,5,5-hexafluoro-3-methoxypentane has a molecular weight of 210.12 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,5,5-hexafluoro-3-methoxypentane is sourced from PubChem (CID 54318379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).