(E)-1,1,1,2,3-pentafluorobut-2-ene

C4H3F5 — CID 54160045

IUPAC(E)-1,1,1,2,3-pentafluorobut-2-ene
SMILESC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3/b3-2+
InChIKeyHBNXKNOVGAHUNV-NSCUHMNNSA-N
MW146.06 g/mol
LogP2.72
Rot. Bonds

About (E)-1,1,1,2,3-pentafluorobut-2-ene

(E)-1,1,1,2,3-pentafluorobut-2-ene (PubChem CID 54160045) has the molecular formula C4H3F5 and a molecular weight of 146.06 g/mol. Its IUPAC name is (E)-1,1,1,2,3-pentafluorobut-2-ene.

Molecular Properties

Compound Name(E)-1,1,1,2,3-pentafluorobut-2-ene
PubChem CID54160045
Molecular FormulaC4H3F5
Molecular Weight146.06 g/mol
Exact Mass146.02
IUPAC Name(E)-1,1,1,2,3-pentafluorobut-2-ene
SMILESC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3/b3-2+
InChIKeyHBNXKNOVGAHUNV-NSCUHMNNSA-N
XLogP2.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.06
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1,2,3-pentafluorobut-2-ene?
The IUPAC name of (E)-1,1,1,2,3-pentafluorobut-2-ene (CID 54160045) is (E)-1,1,1,2,3-pentafluorobut-2-ene.
What is the SMILES notation for (E)-1,1,1,2,3-pentafluorobut-2-ene?
The canonical SMILES for (E)-1,1,1,2,3-pentafluorobut-2-ene is C/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,2,3-pentafluorobut-2-ene?
The InChIKey is HBNXKNOVGAHUNV-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3/b3-2+.
What are the key properties of (E)-1,1,1,2,3-pentafluorobut-2-ene?
(E)-1,1,1,2,3-pentafluorobut-2-ene has a molecular weight of 146.06 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,2,3-pentafluorobut-2-ene is sourced from PubChem (CID 54160045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).