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

C12H13ClFN3O — CID 114858232

IUPAC1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C12H13ClFN3O/c1-2-12(18)11-7-17(16-15-11)6-8-3-4-9(13)5-10(8)14/h3-5,7,12,18H,2,6H2,1H3
InChIKeyFYAOQFULLDRFCG-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.56
Rot. Bonds4

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

1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol (PubChem CID 114858232) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
PubChem CID114858232
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol
SMILESCCC(O)c1cn(Cc2ccc(Cl)cc2F)nn1
InChIInChI=1S/C12H13ClFN3O/c1-2-12(18)11-7-17(16-15-11)6-8-3-4-9(13)5-10(8)14/h3-5,7,12,18H,2,6H2,1H3
InChIKeyFYAOQFULLDRFCG-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 114858230
1-[1-[(2,4-dichlorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114160974
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]triazol-4-yl]propan-1-amine
CID 106227853
1-[1-[2-(5-chloroindol-1-yl)ethyl]triazol-4-yl]propan-1-ol
CID 166251403
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
1-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113482604
1-[1-(4-chloro-3-fluorophenyl)triazol-4-yl]propan-1-ol
CID 113482589
1-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propan-1-ol
CID 107052776
1-[(2,5-dichlorophenyl)methyl]-4-(diethoxymethyl)triazole
CID 66216555
1-[1-[(4-chloro-3-fluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 114161084
2-(4-chloro-2-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572619
1-[1-[(2-chloro-6-fluorophenyl)methyl]triazol-4-yl]ethanol
CID 81444206

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol (CID 114858232) is 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol is CCC(O)c1cn(Cc2ccc(Cl)cc2F)nn1.
What is the InChIKey of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol?
The InChIKey is FYAOQFULLDRFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-2-12(18)11-7-17(16-15-11)6-8-3-4-9(13)5-10(8)14/h3-5,7,12,18H,2,6H2,1H3.
What are the key properties of 1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol?
1-[1-[(4-chloro-2-fluorophenyl)methyl]triazol-4-yl]propan-1-ol has a molecular weight of 269.71 g/mol, XLogP of 2.56, 4 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]propan-1-ol is sourced from PubChem (CID 114858232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).