1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane

C7H8F8O — CID 89114469

IUPAC1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
SMILESCC(F)(F)COC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C7H8F8O/c1-5(9,10)3-16-7(14,15)4(8)2-6(11,12)13/h4H,2-3H2,1H3
InChIKeyNIHLIMDIWZHBBE-UHFFFAOYSA-N
MW260.12 g/mol
LogP3.54
Rot. Bonds5

About 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane

1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane (PubChem CID 89114469) has the molecular formula C7H8F8O and a molecular weight of 260.12 g/mol. Its IUPAC name is 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane.

Molecular Properties

Compound Name1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
PubChem CID89114469
Molecular FormulaC7H8F8O
Molecular Weight260.12 g/mol
Exact Mass260.04
IUPAC Name1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
SMILESCC(F)(F)COC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C7H8F8O/c1-5(9,10)3-16-7(14,15)4(8)2-6(11,12)13/h4H,2-3H2,1H3
InChIKeyNIHLIMDIWZHBBE-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane?
The IUPAC name of 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane (CID 89114469) is 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane.
What is the SMILES notation for 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane?
The canonical SMILES for 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane is CC(F)(F)COC(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane?
The InChIKey is NIHLIMDIWZHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O/c1-5(9,10)3-16-7(14,15)4(8)2-6(11,12)13/h4H,2-3H2,1H3.
What are the key properties of 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane?
1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane has a molecular weight of 260.12 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane is sourced from PubChem (CID 89114469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).