2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite

C10H12F10O2 — CID 123609647

IUPAC2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FOC(F)(F)F
InChIInChI=1S/C9H12F6O.CF4O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)6-5/h3-5H2,1-2H3;
InChIKeyZBLTXTSNRCVJAD-UHFFFAOYSA-N
MW354.18 g/mol
LogP5.24
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite

2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite (PubChem CID 123609647) has the molecular formula C10H12F10O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite
PubChem CID123609647
Molecular FormulaC10H12F10O2
Molecular Weight354.18 g/mol
Exact Mass354.07
IUPAC Name2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite
SMILESCCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FOC(F)(F)F
InChIInChI=1S/C9H12F6O.CF4O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)6-5/h3-5H2,1-2H3;
InChIKeyZBLTXTSNRCVJAD-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.18
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite?
The IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite (CID 123609647) is 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite is CCC1(F)CC(F)(F)OC(F)(C(C)(F)F)C1.FOC(F)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite?
The InChIKey is ZBLTXTSNRCVJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6O.CF4O/c1-3-7(12)4-8(13,6(2,10)11)16-9(14,15)5-7;2-1(3,4)6-5/h3-5H2,1-2H3;.
What are the key properties of 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite?
2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite has a molecular weight of 354.18 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-ethyl-2,4,6,6-tetrafluorooxane;trifluoromethyl hypofluorite is sourced from PubChem (CID 123609647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).