1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene

C6H7F5O — CID 118345036

IUPAC1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene
SMILESCCCOC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-6(10,11)4(7)5(8)9/h2-3H2,1H3
InChIKeyLQEUMWYCXIAISD-UHFFFAOYSA-N
MW190.11 g/mol
LogP3.08
Rot. Bonds4

About 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene

1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene (PubChem CID 118345036) has the molecular formula C6H7F5O and a molecular weight of 190.11 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene
PubChem CID118345036
Molecular FormulaC6H7F5O
Molecular Weight190.11 g/mol
Exact Mass190.04
IUPAC Name1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene
SMILESCCCOC(F)(F)C(F)=C(F)F
InChIInChI=1S/C6H7F5O/c1-2-3-12-6(10,11)4(7)5(8)9/h2-3H2,1H3
InChIKeyLQEUMWYCXIAISD-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.11
LogP ≤ 53.08
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-propoxyprop-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene (CID 118345036) is 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene is CCCOC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene?
The InChIKey is LQEUMWYCXIAISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O/c1-2-3-12-6(10,11)4(7)5(8)9/h2-3H2,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene?
1,1,2,3,3-pentafluoro-3-propoxyprop-1-ene has a molecular weight of 190.11 g/mol, XLogP of 3.08, 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-propoxyprop-1-ene is sourced from PubChem (CID 118345036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).