1,1,2,4,4,4-hexafluoro-1-propoxybutane

C7H10F6O — CID 175770445

IUPAC1,1,2,4,4,4-hexafluoro-1-propoxybutane
SMILESCCCOC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-3-14-7(12,13)5(8)4-6(9,10)11/h5H,2-4H2,1H3
InChIKeyDSSQCIDIWVSZKA-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.30
Rot. Bonds5

About 1,1,2,4,4,4-hexafluoro-1-propoxybutane

1,1,2,4,4,4-hexafluoro-1-propoxybutane (PubChem CID 175770445) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,2,4,4,4-hexafluoro-1-propoxybutane.

Molecular Properties

Compound Name1,1,2,4,4,4-hexafluoro-1-propoxybutane
PubChem CID175770445
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,2,4,4,4-hexafluoro-1-propoxybutane
SMILESCCCOC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C7H10F6O/c1-2-3-14-7(12,13)5(8)4-6(9,10)11/h5H,2-4H2,1H3
InChIKeyDSSQCIDIWVSZKA-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
CID 89114469
bis(1,1,2,4,4,4-hexafluorobutyl)-dipropoxystannane
CID 151771699
2-ethoxy-1,1,1,2,3,5,5,5-octafluoropentane
CID 58114509
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2,4,4,4-hexafluorobutan-1-amine
CID 156717565
1,1,2,4,4,4-hexafluorobutyl 2-[(dihydroxyamino)methyl]butanoate
CID 141317699
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
(4,4,4-trifluoro-1-propoxybutan-2-yl)hydrazine
CID 105205872
CID 170562709
CID 170562709
1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
CID 175046926

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,4-hexafluoro-1-propoxybutane?
The IUPAC name of 1,1,2,4,4,4-hexafluoro-1-propoxybutane (CID 175770445) is 1,1,2,4,4,4-hexafluoro-1-propoxybutane.
What is the SMILES notation for 1,1,2,4,4,4-hexafluoro-1-propoxybutane?
The canonical SMILES for 1,1,2,4,4,4-hexafluoro-1-propoxybutane is CCCOC(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,4,4,4-hexafluoro-1-propoxybutane?
The InChIKey is DSSQCIDIWVSZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-2-3-14-7(12,13)5(8)4-6(9,10)11/h5H,2-4H2,1H3.
What are the key properties of 1,1,2,4,4,4-hexafluoro-1-propoxybutane?
1,1,2,4,4,4-hexafluoro-1-propoxybutane has a molecular weight of 224.14 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,4-hexafluoro-1-propoxybutane is sourced from PubChem (CID 175770445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).