1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene

C9H13F5O2 — CID 20525326

IUPAC1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene
SMILESCCCOC(C)COC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H13F5O2/c1-3-4-15-6(2)5-16-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3
InChIKeyVTHXLYYTGOMHES-UHFFFAOYSA-N
MW248.19 g/mol
LogP3.49
Rot. Bonds7

About 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene

1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene (PubChem CID 20525326) has the molecular formula C9H13F5O2 and a molecular weight of 248.19 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene
PubChem CID20525326
Molecular FormulaC9H13F5O2
Molecular Weight248.19 g/mol
Exact Mass248.08
IUPAC Name1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene
SMILESCCCOC(C)COC(F)(F)C(F)=C(F)F
InChIInChI=1S/C9H13F5O2/c1-3-4-15-6(2)5-16-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3
InChIKeyVTHXLYYTGOMHES-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,1,1-trifluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 59628136
2-[[2,3,3,3-Tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]methyl]oxirane
CID 60055095
2-(1,1-Difluoro-3-methoxybut-1-en-2-yl)oxy-1,1-difluoro-3-methoxybut-1-ene
CID 88216526
3-Ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 90956387
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
CID 91111246
2-Fluoropropan-2-ol;1,1,1,4,4,4-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)butane
CID 91111847
Bis(1,1-difluoroethene);1,1,1,2,3,3-hexafluoro-3-methoxy-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 91212367
2,3,3-Trifluoro-3-[2-fluoro-1-(trifluoromethoxy)propan-2-yl]oxyprop-1-ene
CID 91270608

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene (CID 20525326) is 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene is CCCOC(C)COC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene?
The InChIKey is VTHXLYYTGOMHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O2/c1-3-4-15-6(2)5-16-9(13,14)7(10)8(11)12/h6H,3-5H2,1-2H3.
What are the key properties of 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene?
1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene has a molecular weight of 248.19 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-3-(2-propoxypropoxy)prop-1-ene is sourced from PubChem (CID 20525326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).