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

C4HF7O — CID 139594305

IUPAC(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
SMILESOC(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-1(3(7,8)9)2(6)4(10,11)12/h12H/b2-1+
InChIKeyBDKPQGHXQQEJBT-OWOJBTEDSA-N
MW198.04 g/mol
LogP2.28
Rot. Bonds1

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

(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol (PubChem CID 139594305) has the molecular formula C4HF7O and a molecular weight of 198.04 g/mol. Its IUPAC name is (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
PubChem CID139594305
Molecular FormulaC4HF7O
Molecular Weight198.04 g/mol
Exact Mass197.99
IUPAC Name(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
SMILESOC(F)(F)/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-1(3(7,8)9)2(6)4(10,11)12/h12H/b2-1+
InChIKeyBDKPQGHXQQEJBT-OWOJBTEDSA-N
XLogP2.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.04
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-1,1,2,3,4,4,4-heptafluorobut-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)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol?
The IUPAC name of (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol (CID 139594305) is (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol.
What is the SMILES notation for (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol?
The canonical SMILES for (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol is OC(F)(F)/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol?
The InChIKey is BDKPQGHXQQEJBT-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HF7O/c5-1(3(7,8)9)2(6)4(10,11)12/h12H/b2-1+.
What are the key properties of (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol?
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol has a molecular weight of 198.04 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol is sourced from PubChem (CID 139594305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).