1,2,4-trifluorobut-3-en-1-ol

C4H5F3O — CID 173323536

IUPAC1,2,4-trifluorobut-3-en-1-ol
SMILESOC(F)C(F)C=CF
InChIInChI=1S/C4H5F3O/c5-2-1-3(6)4(7)8/h1-4,8H
InChIKeyNWBHKMWEGZEYKR-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.10
Rot. Bonds2

About 1,2,4-trifluorobut-3-en-1-ol

1,2,4-trifluorobut-3-en-1-ol (PubChem CID 173323536) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 1,2,4-trifluorobut-3-en-1-ol.

Molecular Properties

Compound Name1,2,4-trifluorobut-3-en-1-ol
PubChem CID173323536
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name1,2,4-trifluorobut-3-en-1-ol
SMILESOC(F)C(F)C=CF
InChIInChI=1S/C4H5F3O/c5-2-1-3(6)4(7)8/h1-4,8H
InChIKeyNWBHKMWEGZEYKR-UHFFFAOYSA-N
XLogP1.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2,4-trifluorobut-3-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 1,2,4-trifluorobut-3-en-1-ol?
The IUPAC name of 1,2,4-trifluorobut-3-en-1-ol (CID 173323536) is 1,2,4-trifluorobut-3-en-1-ol.
What is the SMILES notation for 1,2,4-trifluorobut-3-en-1-ol?
The canonical SMILES for 1,2,4-trifluorobut-3-en-1-ol is OC(F)C(F)C=CF.
What is the InChIKey of 1,2,4-trifluorobut-3-en-1-ol?
The InChIKey is NWBHKMWEGZEYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c5-2-1-3(6)4(7)8/h1-4,8H.
What are the key properties of 1,2,4-trifluorobut-3-en-1-ol?
1,2,4-trifluorobut-3-en-1-ol has a molecular weight of 126.08 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluorobut-3-en-1-ol is sourced from PubChem (CID 173323536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).