1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

C6H5F7O — CID 20802180

IUPAC1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-3(7)5(9,10)14-4(2,8)6(11,12)13/h1H2,2H3
InChIKeyVIIQRYUVHFKERD-UHFFFAOYSA-N
MW226.09 g/mol
LogP3.33
Rot. Bonds3

About 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 20802180) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID20802180
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(C)(F)C(F)(F)F
InChIInChI=1S/C6H5F7O/c1-3(7)5(9,10)14-4(2,8)6(11,12)13/h1H2,2H3
InChIKeyVIIQRYUVHFKERD-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 20802180) is 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(C)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is VIIQRYUVHFKERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-3(7)5(9,10)14-4(2,8)6(11,12)13/h1H2,2H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 226.09 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 20802180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).