1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane

C11H8F16O4 — CID 58029213

IUPAC1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(CF)OC(F)(F)C(F)(F)OC(C)(F)F
InChIInChI=1S/C11H8F16O4/c1-4(13,14)28-8(20,21)10(24,25)30-6(17,3-12)7(18,19)31-11(26,27)9(22,23)29-5(2,15)16/h3H2,1-2H3
InChIKeyGQGPBZYRRKYKLB-UHFFFAOYSA-N
MW508.15 g/mol
LogP5.88
Rot. Bonds12

About 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane

1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane (PubChem CID 58029213) has the molecular formula C11H8F16O4 and a molecular weight of 508.15 g/mol. Its IUPAC name is 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane.

Molecular Properties

Compound Name1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane
PubChem CID58029213
Molecular FormulaC11H8F16O4
Molecular Weight508.15 g/mol
Exact Mass508.02
IUPAC Name1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane
SMILESCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(CF)OC(F)(F)C(F)(F)OC(C)(F)F
InChIInChI=1S/C11H8F16O4/c1-4(13,14)28-8(20,21)10(24,25)30-6(17,3-12)7(18,19)31-11(26,27)9(22,23)29-5(2,15)16/h3H2,1-2H3
InChIKeyGQGPBZYRRKYKLB-UHFFFAOYSA-N
XLogP5.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.15
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane?
The IUPAC name of 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane (CID 58029213) is 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane.
What is the SMILES notation for 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane?
The canonical SMILES for 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane is CC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(CF)OC(F)(F)C(F)(F)OC(C)(F)F.
What is the InChIKey of 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane?
The InChIKey is GQGPBZYRRKYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F16O4/c1-4(13,14)28-8(20,21)10(24,25)30-6(17,3-12)7(18,19)31-11(26,27)9(22,23)29-5(2,15)16/h3H2,1-2H3.
What are the key properties of 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane?
1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane has a molecular weight of 508.15 g/mol, XLogP of 5.88, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(1,1-difluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,3-tetrafluoropropane is sourced from PubChem (CID 58029213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).