1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane

C4H2F8O2 — CID 21187359

IUPAC1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane
SMILESFC(F)OC(F)(OC(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O2/c5-1(6)13-4(12,3(9,10)11)14-2(7)8/h1-2H
InChIKeyKLHAPIMIBQOMJR-UHFFFAOYSA-N
MW234.04 g/mol
LogP2.65
Rot. Bonds4

About 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane

1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane (PubChem CID 21187359) has the molecular formula C4H2F8O2 and a molecular weight of 234.04 g/mol. Its IUPAC name is 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane
PubChem CID21187359
Molecular FormulaC4H2F8O2
Molecular Weight234.04 g/mol
Exact Mass233.99
IUPAC Name1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane
SMILESFC(F)OC(F)(OC(F)F)C(F)(F)F
InChIInChI=1S/C4H2F8O2/c5-1(6)13-4(12,3(9,10)11)14-2(7)8/h1-2H
InChIKeyKLHAPIMIBQOMJR-UHFFFAOYSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane?
The IUPAC name of 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane (CID 21187359) is 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane.
What is the SMILES notation for 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane?
The canonical SMILES for 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane is FC(F)OC(F)(OC(F)F)C(F)(F)F.
What is the InChIKey of 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane?
The InChIKey is KLHAPIMIBQOMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O2/c5-1(6)13-4(12,3(9,10)11)14-2(7)8/h1-2H.
What are the key properties of 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane?
1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane has a molecular weight of 234.04 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(difluoromethoxy)-1,2,2,2-tetrafluoroethane is sourced from PubChem (CID 21187359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).