2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane

C7H10F6O3 — CID 56776439

IUPAC2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane
SMILESFC(F)COC(OCC(F)F)OCC(F)F
InChIInChI=1S/C7H10F6O3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h4-7H,1-3H2
InChIKeyTWCGSCGRCBKRIH-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.12
Rot. Bonds9

About 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane

2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane (PubChem CID 56776439) has the molecular formula C7H10F6O3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane
PubChem CID56776439
Molecular FormulaC7H10F6O3
Molecular Weight256.14 g/mol
Exact Mass256.05
IUPAC Name2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane
SMILESFC(F)COC(OCC(F)F)OCC(F)F
InChIInChI=1S/C7H10F6O3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h4-7H,1-3H2
InChIKeyTWCGSCGRCBKRIH-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane?
The IUPAC name of 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane (CID 56776439) is 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane.
What is the SMILES notation for 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane?
The canonical SMILES for 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane is FC(F)COC(OCC(F)F)OCC(F)F.
What is the InChIKey of 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane?
The InChIKey is TWCGSCGRCBKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O3/c8-4(9)1-14-7(15-2-5(10)11)16-3-6(12)13/h4-7H,1-3H2.
What are the key properties of 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane?
2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane has a molecular weight of 256.14 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,2-difluoroethoxy)methoxy]-1,1-difluoroethane is sourced from PubChem (CID 56776439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).