1,1,2,3,3-pentafluoroprop-1-ene

C3F5+ — CID 15764194

IUPAC1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)[C+](F)F
InChIInChI=1S/C3F5/c4-1(2(5)6)3(7)8/q+1
InChIKeyXMYRORSGJIOVIG-UHFFFAOYSA-N
MW131.02 g/mol
LogP2.49
Rot. Bonds1

About 1,1,2,3,3-pentafluoroprop-1-ene

1,1,2,3,3-pentafluoroprop-1-ene (PubChem CID 15764194) has the molecular formula C3F5+ and a molecular weight of 131.02 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoroprop-1-ene
PubChem CID15764194
Molecular FormulaC3F5+
Molecular Weight131.02 g/mol
Exact Mass130.99
IUPAC Name1,1,2,3,3-pentafluoroprop-1-ene
SMILESFC(F)=C(F)[C+](F)F
InChIInChI=1S/C3F5/c4-1(2(5)6)3(7)8/q+1
InChIKeyXMYRORSGJIOVIG-UHFFFAOYSA-N
XLogP2.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.02
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoroprop-1-ene?
The IUPAC name of 1,1,2,3,3-pentafluoroprop-1-ene (CID 15764194) is 1,1,2,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 1,1,2,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 1,1,2,3,3-pentafluoroprop-1-ene is FC(F)=C(F)[C+](F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoroprop-1-ene?
The InChIKey is XMYRORSGJIOVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F5/c4-1(2(5)6)3(7)8/q+1.
What are the key properties of 1,1,2,3,3-pentafluoroprop-1-ene?
1,1,2,3,3-pentafluoroprop-1-ene has a molecular weight of 131.02 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 15764194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).