[2-(4-fluorophenyl)triazol-4-yl]methanol

C9H8FN3O — CID 44819389

IUPAC[2-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN3O/c10-7-1-3-9(4-2-7)13-11-5-8(6-14)12-13/h1-5,14H,6H2
InChIKeyDTGVVQUMDSDLBW-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.90
Rot. Bonds2

About [2-(4-fluorophenyl)triazol-4-yl]methanol

[2-(4-fluorophenyl)triazol-4-yl]methanol (PubChem CID 44819389) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is [2-(4-fluorophenyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluorophenyl)triazol-4-yl]methanol
PubChem CID44819389
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name[2-(4-fluorophenyl)triazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN3O/c10-7-1-3-9(4-2-7)13-11-5-8(6-14)12-13/h1-5,14H,6H2
InChIKeyDTGVVQUMDSDLBW-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 707096
(1-phenyl-1H-1,2,3-triazol-4-yl)methanol
CID 708707
1-(2-phenyl-2H-1,2,3-triazol-4-yl)butane-1,2,3,4-tetrol
CID 228106
4-(Ethoxymethyl)-2-phenyltriazole
CID 121220280
[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474006
[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828290
[1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 56828292
2-(4-fluorophenyl)-2H-1,2,3-triazole-4-carboxylic acid
CID 28775006
2-Phenyl-4-(propoxymethyl)triazole
CID 145953491
4-(Butoxymethyl)-2-phenyltriazole
CID 145973177
Triazole-4-carboxylic acid, 2-(2-fluorophenyl)-
CID 187834
(5-Methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methanol
CID 563195

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]methanol?
The IUPAC name of [2-(4-fluorophenyl)triazol-4-yl]methanol (CID 44819389) is [2-(4-fluorophenyl)triazol-4-yl]methanol.
What is the SMILES notation for [2-(4-fluorophenyl)triazol-4-yl]methanol?
The canonical SMILES for [2-(4-fluorophenyl)triazol-4-yl]methanol is OCc1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of [2-(4-fluorophenyl)triazol-4-yl]methanol?
The InChIKey is DTGVVQUMDSDLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-1-3-9(4-2-7)13-11-5-8(6-14)12-13/h1-5,14H,6H2.
What are the key properties of [2-(4-fluorophenyl)triazol-4-yl]methanol?
[2-(4-fluorophenyl)triazol-4-yl]methanol has a molecular weight of 193.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)triazol-4-yl]methanol is sourced from PubChem (CID 44819389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).