1,1,1,2,3-pentafluorobut-2-ene

C4H3F5 — CID 20980107

IUPAC1,1,1,2,3-pentafluorobut-2-ene
SMILESCC(F)=C(F)C(F)(F)F
InChIInChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3
InChIKeyHBNXKNOVGAHUNV-UHFFFAOYSA-N
MW146.06 g/mol
LogP2.72
Rot. Bonds

About 1,1,1,2,3-pentafluorobut-2-ene

1,1,1,2,3-pentafluorobut-2-ene (PubChem CID 20980107) has the molecular formula C4H3F5 and a molecular weight of 146.06 g/mol. Its IUPAC name is 1,1,1,2,3-pentafluorobut-2-ene.

Molecular Properties

Compound Name1,1,1,2,3-pentafluorobut-2-ene
PubChem CID20980107
Molecular FormulaC4H3F5
Molecular Weight146.06 g/mol
Exact Mass146.02
IUPAC Name1,1,1,2,3-pentafluorobut-2-ene
SMILESCC(F)=C(F)C(F)(F)F
InChIInChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3
InChIKeyHBNXKNOVGAHUNV-UHFFFAOYSA-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 1,1,1,2,3-pentafluorobut-2-ene?
The IUPAC name of 1,1,1,2,3-pentafluorobut-2-ene (CID 20980107) is 1,1,1,2,3-pentafluorobut-2-ene.
What is the SMILES notation for 1,1,1,2,3-pentafluorobut-2-ene?
The canonical SMILES for 1,1,1,2,3-pentafluorobut-2-ene is CC(F)=C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3-pentafluorobut-2-ene?
The InChIKey is HBNXKNOVGAHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5/c1-2(5)3(6)4(7,8)9/h1H3.
What are the key properties of 1,1,1,2,3-pentafluorobut-2-ene?
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 1,1,1,2,3-pentafluorobut-2-ene is sourced from PubChem (CID 20980107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).