(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol

C4H3F5O — CID 59123620

IUPAC(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol
SMILESOC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H3F5O/c5-2(1-10)3(6)4(7,8)9/h10H,1H2/b3-2+
InChIKeyISWRTGYCZVGZHB-NSCUHMNNSA-N
MW162.06 g/mol
LogP1.69
Rot. Bonds1

About (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol

(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol (PubChem CID 59123620) has the molecular formula C4H3F5O and a molecular weight of 162.06 g/mol. Its IUPAC name is (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol
PubChem CID59123620
Molecular FormulaC4H3F5O
Molecular Weight162.06 g/mol
Exact Mass162.01
IUPAC Name(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol
SMILESOC/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H3F5O/c5-2(1-10)3(6)4(7,8)9/h10H,1H2/b3-2+
InChIKeyISWRTGYCZVGZHB-NSCUHMNNSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.06
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol?
The IUPAC name of (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol (CID 59123620) is (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol.
What is the SMILES notation for (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol?
The canonical SMILES for (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol is OC/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol?
The InChIKey is ISWRTGYCZVGZHB-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H3F5O/c5-2(1-10)3(6)4(7,8)9/h10H,1H2/b3-2+.
What are the key properties of (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol?
(E)-2,3,4,4,4-pentafluorobut-2-en-1-ol has a molecular weight of 162.06 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,4,4,4-pentafluorobut-2-en-1-ol is sourced from PubChem (CID 59123620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).