[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol

C11H11ClFN3O — CID 157046571

IUPAC[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C11H11ClFN3O/c1-2-16-10(6-17)11(14-15-16)8-4-3-7(12)5-9(8)13/h3-5,17H,2,6H2,1H3
InChIKeyOXTQAMNTIKBWIY-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.25
Rot. Bonds3

About [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol

[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol (PubChem CID 157046571) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol
PubChem CID157046571
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol
SMILESCCn1nnc(-c2ccc(Cl)cc2F)c1CO
InChIInChI=1S/C11H11ClFN3O/c1-2-16-10(6-17)11(14-15-16)8-4-3-7(12)5-9(8)13/h3-5,17H,2,6H2,1H3
InChIKeyOXTQAMNTIKBWIY-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol?
The IUPAC name of [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol (CID 157046571) is [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol.
What is the SMILES notation for [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol?
The canonical SMILES for [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol is CCn1nnc(-c2ccc(Cl)cc2F)c1CO.
What is the InChIKey of [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol?
The InChIKey is OXTQAMNTIKBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-2-16-10(6-17)11(14-15-16)8-4-3-7(12)5-9(8)13/h3-5,17H,2,6H2,1H3.
What are the key properties of [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol?
[5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol has a molecular weight of 255.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chloro-2-fluorophenyl)-3-ethyltriazol-4-yl]methanol is sourced from PubChem (CID 157046571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).