[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol

C10H7Cl3FN3O — CID 94937256

IUPAC[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3FN3O/c11-10(12,13)9-7(5-18)15-16-17(9)8-4-2-1-3-6(8)14/h1-4,18H,5H2
InChIKeyCCBQHKXARPCBTD-UHFFFAOYSA-N
MW310.54 g/mol
LogP2.73
Rot. Bonds2

About [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol

[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol (PubChem CID 94937256) has the molecular formula C10H7Cl3FN3O and a molecular weight of 310.54 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
PubChem CID94937256
Molecular FormulaC10H7Cl3FN3O
Molecular Weight310.54 g/mol
Exact Mass308.96
IUPAC Name[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2ccccc2F)c1C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3FN3O/c11-10(12,13)9-7(5-18)15-16-17(9)8-4-2-1-3-6(8)14/h1-4,18H,5H2
InChIKeyCCBQHKXARPCBTD-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-tert-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686716
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 56686714
[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]methanol
CID 56686720
[5-butyl-1-(2-fluorophenyl)triazol-4-yl]methanol
CID 82196453
[5-tert-butyl-1-(2-ethoxyphenyl)triazol-4-yl]methanol
CID 82197444
[1-(5-chloro-2-methylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82196332
[5-ethyl-3-(2-fluorophenyl)triazol-4-yl]methanamine
CID 105475486
[5-ethyl-1-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196549
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide
CID 119629360
N-(3-aminopropyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide;hydrochloride
CID 119407882

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol (CID 94937256) is [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol is OCc1nnn(-c2ccccc2F)c1C(Cl)(Cl)Cl.
What is the InChIKey of [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol?
The InChIKey is CCBQHKXARPCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3FN3O/c11-10(12,13)9-7(5-18)15-16-17(9)8-4-2-1-3-6(8)14/h1-4,18H,5H2.
What are the key properties of [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol?
[1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol has a molecular weight of 310.54 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 94937256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).