1-(1,1-difluorobutoxy)-1,1-difluorobutane

C8H14F4O — CID 57115473

IUPAC1-(1,1-difluorobutoxy)-1,1-difluorobutane
SMILESCCCC(F)(F)OC(F)(F)CCC
InChIInChI=1S/C8H14F4O/c1-3-5-7(9,10)13-8(11,12)6-4-2/h3-6H2,1-2H3
InChIKeyRHPNOAYATYIGGQ-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.79
Rot. Bonds6

About 1-(1,1-difluorobutoxy)-1,1-difluorobutane

1-(1,1-difluorobutoxy)-1,1-difluorobutane (PubChem CID 57115473) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 1-(1,1-difluorobutoxy)-1,1-difluorobutane.

Molecular Properties

Compound Name1-(1,1-difluorobutoxy)-1,1-difluorobutane
PubChem CID57115473
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name1-(1,1-difluorobutoxy)-1,1-difluorobutane
SMILESCCCC(F)(F)OC(F)(F)CCC
InChIInChI=1S/C8H14F4O/c1-3-5-7(9,10)13-8(11,12)6-4-2/h3-6H2,1-2H3
InChIKeyRHPNOAYATYIGGQ-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluorobutoxy)-1,1-difluorobutane?
The IUPAC name of 1-(1,1-difluorobutoxy)-1,1-difluorobutane (CID 57115473) is 1-(1,1-difluorobutoxy)-1,1-difluorobutane.
What is the SMILES notation for 1-(1,1-difluorobutoxy)-1,1-difluorobutane?
The canonical SMILES for 1-(1,1-difluorobutoxy)-1,1-difluorobutane is CCCC(F)(F)OC(F)(F)CCC.
What is the InChIKey of 1-(1,1-difluorobutoxy)-1,1-difluorobutane?
The InChIKey is RHPNOAYATYIGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-3-5-7(9,10)13-8(11,12)6-4-2/h3-6H2,1-2H3.
What are the key properties of 1-(1,1-difluorobutoxy)-1,1-difluorobutane?
1-(1,1-difluorobutoxy)-1,1-difluorobutane has a molecular weight of 202.19 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluorobutoxy)-1,1-difluorobutane is sourced from PubChem (CID 57115473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).