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

C6H4F8O — CID 89441122

IUPAC1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene
SMILESCC(F)C(F)(F)OC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H4F8O/c1-2(7)5(11,12)15-6(13,14)3(8)4(9)10/h2H,1H3
InChIKeyXNNVDEHNDSJQSQ-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.62
Rot. Bonds4

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

1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene (PubChem CID 89441122) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene
PubChem CID89441122
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene
SMILESCC(F)C(F)(F)OC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H4F8O/c1-2(7)5(11,12)15-6(13,14)3(8)4(9)10/h2H,1H3
InChIKeyXNNVDEHNDSJQSQ-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene (CID 89441122) is 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene is CC(F)C(F)(F)OC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene?
The InChIKey is XNNVDEHNDSJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c1-2(7)5(11,12)15-6(13,14)3(8)4(9)10/h2H,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene?
1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene has a molecular weight of 244.08 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene is sourced from PubChem (CID 89441122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).