[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol

C13H14FN3O — CID 82204576

IUPAC[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol
SMILESC=CCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h2-6,18H,1,7-9H2
InChIKeyJZCMMHKJVQCVTQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.69
Rot. Bonds5

About [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol

[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol (PubChem CID 82204576) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol
PubChem CID82204576
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol
SMILESC=CCn1nnc(CO)c1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h2-6,18H,1,7-9H2
InChIKeyJZCMMHKJVQCVTQ-UHFFFAOYSA-N
XLogP1.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol 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-((3-Fluorophenyl)methyl)-1H-1,2,3-triazole-4-methanol
CID 24213791
(1-(2,2-difluoro-2-phenylethyl)-1H-1,2,3-triazol-4-yl)methanol
CID 113564363
3-[4-Phenyl-5-(2,2,2-trifluoroethyl)triazol-1-yl]propan-1-ol
CID 134860578
[3-Benzyl-5-[4-(trifluoromethyl)phenyl]triazol-4-yl]methanol
CID 138980862
(1-Benzyl-5-iodotriazol-4-yl)methanol
CID 132562137
[5-(4-Fluorophenyl)-3-propan-2-yltriazol-4-yl]methanol
CID 19914682
{1-[(4-fluorophenyl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 53342584
(1-(2,6-difluorobenzyl)-1H-1,2,3-triazol-4-yl)methanol
CID 56932787
(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)methanol
CID 62401834
[5-(4-Fluoro-phenyl)-3-trimethylsilanylmethyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67496703
(4-(2-Fluorophenyl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 67498210
[5-(4-Fluoro-phenyl)-3-methyl-3H-[1,2,3]triazol-4-yl]-methanol
CID 67498408

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol (CID 82204576) is [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol is C=CCn1nnc(CO)c1Cc1ccc(F)cc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
The InChIKey is JZCMMHKJVQCVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-7-17-13(12(9-18)15-16-17)8-10-3-5-11(14)6-4-10/h2-6,18H,1,7-9H2.
What are the key properties of [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol?
[5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol has a molecular weight of 247.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1-prop-2-enyltriazol-4-yl]methanol is sourced from PubChem (CID 82204576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).