1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol

C7H8F3NO2 — CID 153380464

IUPAC1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
SMILESOC(F)(CCC(F)F)c1cocn1
InChIInChI=1S/C7H8F3NO2/c8-6(9)1-2-7(10,12)5-3-13-4-11-5/h3-4,6,12H,1-2H2
InChIKeyGIBIXQOFWPTOKW-UHFFFAOYSA-N
MW195.14 g/mol
LogP1.83
Rot. Bonds4

About 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol

1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol (PubChem CID 153380464) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
PubChem CID153380464
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol
SMILESOC(F)(CCC(F)F)c1cocn1
InChIInChI=1S/C7H8F3NO2/c8-6(9)1-2-7(10,12)5-3-13-4-11-5/h3-4,6,12H,1-2H2
InChIKeyGIBIXQOFWPTOKW-UHFFFAOYSA-N
XLogP1.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-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 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The IUPAC name of 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol (CID 153380464) is 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol.
What is the SMILES notation for 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The canonical SMILES for 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol is OC(F)(CCC(F)F)c1cocn1.
What is the InChIKey of 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
The InChIKey is GIBIXQOFWPTOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-6(9)1-2-7(10,12)5-3-13-4-11-5/h3-4,6,12H,1-2H2.
What are the key properties of 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol?
1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol has a molecular weight of 195.14 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluoro-1-(1,3-oxazol-4-yl)butan-1-ol is sourced from PubChem (CID 153380464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).