2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane

C4H2F8O — CID 44582440

IUPAC2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1(6)3(9,4(10,11)12)13-2(7)8/h1-2H
InChIKeyCVIAQWDFQXKNLH-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.72
Rot. Bonds3

About 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane

2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane (PubChem CID 44582440) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane
PubChem CID44582440
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane
SMILESFC(F)OC(F)(C(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-1(6)3(9,4(10,11)12)13-2(7)8/h1-2H
InChIKeyCVIAQWDFQXKNLH-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane?
The IUPAC name of 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane (CID 44582440) is 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane.
What is the SMILES notation for 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane?
The canonical SMILES for 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane is FC(F)OC(F)(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane?
The InChIKey is CVIAQWDFQXKNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O/c5-1(6)3(9,4(10,11)12)13-2(7)8/h1-2H.
What are the key properties of 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane?
2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane has a molecular weight of 218.04 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,1,1,2,3,3-hexafluoropropane is sourced from PubChem (CID 44582440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).