[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol

C13H10FN3O — CID 114065329

IUPAC[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-n1nnc2ccccc21
InChIInChI=1S/C13H10FN3O/c14-10-4-3-7-12(9(10)8-18)17-13-6-2-1-5-11(13)15-16-17/h1-7,18H,8H2
InChIKeyOFRKHCZFTACCQJ-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.05
Rot. Bonds2

About [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol

[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol (PubChem CID 114065329) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
PubChem CID114065329
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol
SMILESOCc1c(F)cccc1-n1nnc2ccccc21
InChIInChI=1S/C13H10FN3O/c14-10-4-3-7-12(9(10)8-18)17-13-6-2-1-5-11(13)15-16-17/h1-7,18H,8H2
InChIKeyOFRKHCZFTACCQJ-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethyl-3-methylphenyl)benzotriazole
CID 167170064
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-3-fluorophenyl]benzotriazole
CID 82249213
[1-(2-fluorophenyl)-5-methyltriazol-4-yl]methanol;hydrochloride
CID 155821941
2-(benzotriazol-1-yl)-4,6-difluoroaniline
CID 113325367
1-[4-(benzotriazol-1-yl)-3-fluorophenyl]propan-2-amine
CID 63816562
1-(2-methoxyphenyl)benzotriazole
CID 53415460
4-(benzotriazol-1-yl)benzene-1,3-diol
CID 19816499
2-(benzotriazol-1-yl)-6-chlorobenzenecarbothioamide
CID 62497553
2-(benzotriazol-1-yl)-4-fluoroaniline
CID 62376112
[2-(3,5-diethyl-1,2,4-triazol-1-yl)-6-fluorophenyl]methanol
CID 114065334
2-(benzotriazol-1-yl)-6-nitrophenol
CID 67584054
2-(benzotriazol-1-yl)-2,2-difluoroethanol
CID 118312748

Frequently Asked Questions

What is the IUPAC name of [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol?
The IUPAC name of [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol (CID 114065329) is [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol.
What is the SMILES notation for [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol?
The canonical SMILES for [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol is OCc1c(F)cccc1-n1nnc2ccccc21.
What is the InChIKey of [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol?
The InChIKey is OFRKHCZFTACCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c14-10-4-3-7-12(9(10)8-18)17-13-6-2-1-5-11(13)15-16-17/h1-7,18H,8H2.
What are the key properties of [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol?
[2-(benzotriazol-1-yl)-6-fluorophenyl]methanol has a molecular weight of 243.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzotriazol-1-yl)-6-fluorophenyl]methanol is sourced from PubChem (CID 114065329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).