2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol

C19H15F4N3O — CID 57053903

IUPAC2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol
SMILESC=C(c1ccc(C(F)(F)F)cc1)C(O)(Cc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O/c1-12(13-2-4-15(5-3-13)19(21,22)23)18(27,10-17-24-11-25-26-17)14-6-8-16(20)9-7-14/h2-9,11,27H,1,10H2,(H,24,25,26)
InChIKeyHJSGZVLLHKBWMR-UHFFFAOYSA-N
MW377.34 g/mol
LogP4.11
Rot. Bonds5

About 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol

2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol (PubChem CID 57053903) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol
PubChem CID57053903
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol
SMILESC=C(c1ccc(C(F)(F)F)cc1)C(O)(Cc1ncn[nH]1)c1ccc(F)cc1
InChIInChI=1S/C19H15F4N3O/c1-12(13-2-4-15(5-3-13)19(21,22)23)18(27,10-17-24-11-25-26-17)14-6-8-16(20)9-7-14/h2-9,11,27H,1,10H2,(H,24,25,26)
InChIKeyHJSGZVLLHKBWMR-UHFFFAOYSA-N
XLogP4.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-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 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol (CID 57053903) is 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol is C=C(c1ccc(C(F)(F)F)cc1)C(O)(Cc1ncn[nH]1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol?
The InChIKey is HJSGZVLLHKBWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-12(13-2-4-15(5-3-13)19(21,22)23)18(27,10-17-24-11-25-26-17)14-6-8-16(20)9-7-14/h2-9,11,27H,1,10H2,(H,24,25,26).
What are the key properties of 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol?
2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol has a molecular weight of 377.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)-3-[4-(trifluoromethyl)phenyl]but-3-en-2-ol is sourced from PubChem (CID 57053903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).