benzotriazol-1-yl-(4-fluorophenyl)methanol

C13H10FN3O — CID 134268552

IUPACbenzotriazol-1-yl-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C13H10FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8,13,18H
InChIKeyZMLGQPLDWGUQDW-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.11
Rot. Bonds2

About benzotriazol-1-yl-(4-fluorophenyl)methanol

benzotriazol-1-yl-(4-fluorophenyl)methanol (PubChem CID 134268552) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is benzotriazol-1-yl-(4-fluorophenyl)methanol.

Molecular Properties

Compound Namebenzotriazol-1-yl-(4-fluorophenyl)methanol
PubChem CID134268552
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Namebenzotriazol-1-yl-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)n1nnc2ccccc21
InChIInChI=1S/C13H10FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8,13,18H
InChIKeyZMLGQPLDWGUQDW-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(4-fluorophenyl)methanol?
The IUPAC name of benzotriazol-1-yl-(4-fluorophenyl)methanol (CID 134268552) is benzotriazol-1-yl-(4-fluorophenyl)methanol.
What is the SMILES notation for benzotriazol-1-yl-(4-fluorophenyl)methanol?
The canonical SMILES for benzotriazol-1-yl-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl-(4-fluorophenyl)methanol?
The InChIKey is ZMLGQPLDWGUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-7-5-9(6-8-10)13(18)17-12-4-2-1-3-11(12)15-16-17/h1-8,13,18H.
What are the key properties of benzotriazol-1-yl-(4-fluorophenyl)methanol?
benzotriazol-1-yl-(4-fluorophenyl)methanol has a molecular weight of 243.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(4-fluorophenyl)methanol is sourced from PubChem (CID 134268552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).