2-(1,1-difluoroethoxy)-1,1-difluoropropane

C5H8F4O — CID 88885550

IUPAC2-(1,1-difluoroethoxy)-1,1-difluoropropane
SMILESCC(OC(C)(F)F)C(F)F
InChIInChI=1S/C5H8F4O/c1-3(4(6)7)10-5(2,8)9/h3-4H,1-2H3
InChIKeyISPLPJPEXHWKHW-UHFFFAOYSA-N
MW160.11 g/mol
LogP2.27
Rot. Bonds3

About 2-(1,1-difluoroethoxy)-1,1-difluoropropane

2-(1,1-difluoroethoxy)-1,1-difluoropropane (PubChem CID 88885550) has the molecular formula C5H8F4O and a molecular weight of 160.11 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)-1,1-difluoropropane.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)-1,1-difluoropropane
PubChem CID88885550
Molecular FormulaC5H8F4O
Molecular Weight160.11 g/mol
Exact Mass160.05
IUPAC Name2-(1,1-difluoroethoxy)-1,1-difluoropropane
SMILESCC(OC(C)(F)F)C(F)F
InChIInChI=1S/C5H8F4O/c1-3(4(6)7)10-5(2,8)9/h3-4H,1-2H3
InChIKeyISPLPJPEXHWKHW-UHFFFAOYSA-N
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)-1,1-difluoropropane?
The IUPAC name of 2-(1,1-difluoroethoxy)-1,1-difluoropropane (CID 88885550) is 2-(1,1-difluoroethoxy)-1,1-difluoropropane.
What is the SMILES notation for 2-(1,1-difluoroethoxy)-1,1-difluoropropane?
The canonical SMILES for 2-(1,1-difluoroethoxy)-1,1-difluoropropane is CC(OC(C)(F)F)C(F)F.
What is the InChIKey of 2-(1,1-difluoroethoxy)-1,1-difluoropropane?
The InChIKey is ISPLPJPEXHWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O/c1-3(4(6)7)10-5(2,8)9/h3-4H,1-2H3.
What are the key properties of 2-(1,1-difluoroethoxy)-1,1-difluoropropane?
2-(1,1-difluoroethoxy)-1,1-difluoropropane has a molecular weight of 160.11 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)-1,1-difluoropropane is sourced from PubChem (CID 88885550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).