1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol

C11H11ClFN3O — CID 114858230

IUPAC1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C11H11ClFN3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3
InChIKeyVJOZPWHOFXGAEW-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.17
Rot. Bonds3

About 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol

1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol (PubChem CID 114858230) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
PubChem CID114858230
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C11H11ClFN3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3
InChIKeyVJOZPWHOFXGAEW-UHFFFAOYSA-N
XLogP2.17
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
CID 114858232
1-[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444206
1-[1-[(3-chlorophenyl)methyl]triazol-4-yl]ethanol
CID 81444396
1-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444296
1-[1-[(2-chloro-4-nitrophenyl)methyl]triazol-4-yl]ethanol
CID 81443917
(1S)-1-(1-benzyltriazol-4-yl)ethanol
CID 75176225
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
(1R)-1-[1-[(4-methylphenyl)methyl]triazol-4-yl]ethanol
CID 67547455
1-[1-[[3-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]ethanol
CID 136573702
1-[1-[2-(2,4-dichlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 81444223
1-[1-[(4-tert-butylphenyl)methyl]triazol-4-yl]ethanol
CID 81444577
1-[1-[(2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 114420088

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol (CID 114858230) is 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc(Cl)cc2F)nn1.
What is the InChIKey of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is VJOZPWHOFXGAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-7(17)11-6-16(15-14-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7,17H,5H2,1H3.
What are the key properties of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol?
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 255.68 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 114858230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).