(E)-2,3,3-trifluoroprop-1-en-1-ol

C3H3F3O — CID 88605986

IUPAC(E)-2,3,3-trifluoroprop-1-en-1-ol
SMILESO/C=C(/F)C(F)F
InChIInChI=1S/C3H3F3O/c4-2(1-7)3(5)6/h1,3,7H/b2-1+
InChIKeyWNNJVYRYGGYIKK-OWOJBTEDSA-N
MW112.05 g/mol
LogP1.62
Rot. Bonds1

About (E)-2,3,3-trifluoroprop-1-en-1-ol

(E)-2,3,3-trifluoroprop-1-en-1-ol (PubChem CID 88605986) has the molecular formula C3H3F3O and a molecular weight of 112.05 g/mol. Its IUPAC name is (E)-2,3,3-trifluoroprop-1-en-1-ol.

Molecular Properties

Compound Name(E)-2,3,3-trifluoroprop-1-en-1-ol
PubChem CID88605986
Molecular FormulaC3H3F3O
Molecular Weight112.05 g/mol
Exact Mass112.01
IUPAC Name(E)-2,3,3-trifluoroprop-1-en-1-ol
SMILESO/C=C(/F)C(F)F
InChIInChI=1S/C3H3F3O/c4-2(1-7)3(5)6/h1,3,7H/b2-1+
InChIKeyWNNJVYRYGGYIKK-OWOJBTEDSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2,3,3-trifluoroprop-1-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

Related Compounds

1,1,2,4,4-pentafluorobut-2-ene
CID 161312912
trimethyl-[(Z)-2,3,3-trifluoroprop-1-enyl]azanium
CID 10945866
fluoroform;formic acid
CID 23325859
fluoroform;methanol
CID 161033158
1,1,1,2,2,3,3-heptafluoro-3-(2,3,3-trifluoroprop-1-enoxy)propane
CID 166486272
(Z)-3-fluoropent-3-en-2-ol
CID 152906819
3-chloro-1,2,3-trifluoroprop-1-ene
CID 54378571
3-bromo-1,2,3-trifluoroprop-1-ene
CID 173452706
(Z)-1,2,3,4,4-pentafluorobut-1-ene
CID 21096869
2-[(E)-2,3,3-trifluoroprop-1-enyl]aniline
CID 171548656
fluoroform;zinc
CID 160750436
CID 172813216
CID 172813216

Frequently Asked Questions

What is the IUPAC name of (E)-2,3,3-trifluoroprop-1-en-1-ol?
The IUPAC name of (E)-2,3,3-trifluoroprop-1-en-1-ol (CID 88605986) is (E)-2,3,3-trifluoroprop-1-en-1-ol.
What is the SMILES notation for (E)-2,3,3-trifluoroprop-1-en-1-ol?
The canonical SMILES for (E)-2,3,3-trifluoroprop-1-en-1-ol is O/C=C(/F)C(F)F.
What is the InChIKey of (E)-2,3,3-trifluoroprop-1-en-1-ol?
The InChIKey is WNNJVYRYGGYIKK-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H3F3O/c4-2(1-7)3(5)6/h1,3,7H/b2-1+.
What are the key properties of (E)-2,3,3-trifluoroprop-1-en-1-ol?
(E)-2,3,3-trifluoroprop-1-en-1-ol has a molecular weight of 112.05 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3,3-trifluoroprop-1-en-1-ol is sourced from PubChem (CID 88605986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).