2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane

C6H4F8O2 — CID 118933276

IUPAC2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OC(OC(F)F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O2/c1-5(11,6(12,13)14)16-3(2(7)8)15-4(9)10/h4H,1H3
InChIKeyNAFYYZYBVDLOCC-UHFFFAOYSA-N
MW260.08 g/mol
LogP3.56
Rot. Bonds4

About 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane

2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane (PubChem CID 118933276) has the molecular formula C6H4F8O2 and a molecular weight of 260.08 g/mol. Its IUPAC name is 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane.

Molecular Properties

Compound Name2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane
PubChem CID118933276
Molecular FormulaC6H4F8O2
Molecular Weight260.08 g/mol
Exact Mass260.01
IUPAC Name2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane
SMILESCC(F)(OC(OC(F)F)=C(F)F)C(F)(F)F
InChIInChI=1S/C6H4F8O2/c1-5(11,6(12,13)14)16-3(2(7)8)15-4(9)10/h4H,1H3
InChIKeyNAFYYZYBVDLOCC-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane?
The IUPAC name of 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane (CID 118933276) is 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane.
What is the SMILES notation for 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane?
The canonical SMILES for 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane is CC(F)(OC(OC(F)F)=C(F)F)C(F)(F)F.
What is the InChIKey of 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane?
The InChIKey is NAFYYZYBVDLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O2/c1-5(11,6(12,13)14)16-3(2(7)8)15-4(9)10/h4H,1H3.
What are the key properties of 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane?
2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane has a molecular weight of 260.08 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethoxy)-2,2-difluoroethenoxy]-1,1,1,2-tetrafluoropropane is sourced from PubChem (CID 118933276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).