1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane

C7H10F6O — CID 58419167

IUPAC1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane
SMILESCOC(F)(F)C(C)(F)CC(F)(F)CF
InChIInChI=1S/C7H10F6O/c1-5(9,7(12,13)14-2)3-6(10,11)4-8/h3-4H2,1-2H3
InChIKeyVFLFKGITTZGHQV-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.95
Rot. Bonds5

About 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane

1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane (PubChem CID 58419167) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane.

Molecular Properties

Compound Name1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane
PubChem CID58419167
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane
SMILESCOC(F)(F)C(C)(F)CC(F)(F)CF
InChIInChI=1S/C7H10F6O/c1-5(9,7(12,13)14-2)3-6(10,11)4-8/h3-4H2,1-2H3
InChIKeyVFLFKGITTZGHQV-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl perfluoroisohexyl ether
CID 87409595
2-Fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
CID 10798148
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
CID 19761955
1,1,1,2,3,3,4,5,5,5-Decafluoro-2-methoxy-4-methylpentane
CID 20085051
1,1,2,2,3,3-Hexafluoro-1-methoxypentane
CID 53653675
1,1,1-Trifluoro-5-methoxy-2-methylpentane
CID 54079437
2-[Difluoro(1,1,2-trifluoroethoxy)methyl]-1,1,1,4,5,5,5-heptafluoropentane;fluoromethane;1,1,2,2-tetrafluoro-1-(fluoromethoxy)propane
CID 54199223
1,1,2,2-Tetrafluoro-1-methoxypentane
CID 57526214
Fluoromethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426031
Fluoromethane;1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426034
Ethane;1,1,2,4,4,5,6-heptafluoro-1-methoxy-2-methylhexane;yttrium
CID 58426037
1,1,1,2,3,4,5,5,5-Nonafluoro-2-(propoxymethyl)-4-(trifluoromethyl)pentane
CID 58901193

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane?
The IUPAC name of 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane (CID 58419167) is 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane.
What is the SMILES notation for 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane?
The canonical SMILES for 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane is COC(F)(F)C(C)(F)CC(F)(F)CF.
What is the InChIKey of 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane?
The InChIKey is VFLFKGITTZGHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-5(9,7(12,13)14-2)3-6(10,11)4-8/h3-4H2,1-2H3.
What are the key properties of 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane?
1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane has a molecular weight of 224.14 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,5-hexafluoro-1-methoxy-2-methylpentane is sourced from PubChem (CID 58419167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).