1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

C9H5F13O2 — CID 20802178

IUPAC1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(CF)C(F)(F)F
InChIInChI=1S/C9H5F13O2/c1-3(11)6(15,16)24-7(17,8(18,19)20)9(21,22)23-4(2-10)5(12,13)14/h4H,1-2H2
InChIKeyMTJYOMPBWMRYGO-UHFFFAOYSA-N
MW392.11 g/mol
LogP4.82
Rot. Bonds7

About 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 20802178) has the molecular formula C9H5F13O2 and a molecular weight of 392.11 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID20802178
Molecular FormulaC9H5F13O2
Molecular Weight392.11 g/mol
Exact Mass392.01
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(CF)C(F)(F)F
InChIInChI=1S/C9H5F13O2/c1-3(11)6(15,16)24-7(17,8(18,19)20)9(21,22)23-4(2-10)5(12,13)14/h4H,1-2H2
InChIKeyMTJYOMPBWMRYGO-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.11
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)propoxy]prop-1-ene
CID 75412010
1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-prop-2-enoxypropane
CID 14766781
CF3CF2CF2Ocf(CF3)CF2ocf(CF3)CF2och2CH=CH2
CID 14766787
3-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]prop-1-ene
CID 17897670
1,1,2,3,3-Pentafluoro-3-(2-propoxypropoxy)prop-1-ene
CID 20525326
2,3,3-Trifluoro-3-[1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethoxy]prop-1-ene
CID 20793141
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802179
1,1,1,2-Tetrafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802181
1,1,1,2-Tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 22897551
3-[2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]prop-1-ene
CID 53793551
2-[[2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]methyl]oxirane
CID 57243288
1,1,1,2,3,3-Hexafluoro-3-(1-fluoroethenoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 57838220

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 20802178) is 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(CF)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is MTJYOMPBWMRYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O2/c1-3(11)6(15,16)24-7(17,8(18,19)20)9(21,22)23-4(2-10)5(12,13)14/h4H,1-2H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 392.11 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 20802178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).