1-(5-ethyl-2-fluorophenyl)benzotriazole

C14H12FN3 — CID 134345675

IUPAC1-(5-ethyl-2-fluorophenyl)benzotriazole
SMILESCCc1ccc(F)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C14H12FN3/c1-2-10-7-8-11(15)14(9-10)18-13-6-4-3-5-12(13)16-17-18/h3-9H,2H2,1H3
InChIKeyLRVWRLXTZOARCY-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.12
Rot. Bonds2

About 1-(5-ethyl-2-fluorophenyl)benzotriazole

1-(5-ethyl-2-fluorophenyl)benzotriazole (PubChem CID 134345675) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluorophenyl)benzotriazole.

Molecular Properties

Compound Name1-(5-ethyl-2-fluorophenyl)benzotriazole
PubChem CID134345675
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name1-(5-ethyl-2-fluorophenyl)benzotriazole
SMILESCCc1ccc(F)c(-n2nnc3ccccc32)c1
InChIInChI=1S/C14H12FN3/c1-2-10-7-8-11(15)14(9-10)18-13-6-4-3-5-12(13)16-17-18/h3-9H,2H2,1H3
InChIKeyLRVWRLXTZOARCY-UHFFFAOYSA-N
XLogP3.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-1H-benzotriazole
CID 521212
1-Phenyl-1,2,3-benzotriazole
CID 136693
1-(2,4-Difluorophenyl)-5-methyl-4-phenyltriazole
CID 342451
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Fluorophenyl)methyl]benzotriazole
CID 733622
1-(3-Phenyl-2-propyn-1-yl)-1H-benzotriazole
CID 609250
1-Phenylbenzotriazole-5-carbonitrile
CID 902631
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
1-[[4-[2-Fluoro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155525998
1-[[4-(2,4-Difluorophenyl)phenyl]methyl]benzotriazole
CID 155549028
1-(Cyclopropylmethyl)-4-(trifluoromethyl)benzotriazole
CID 70977933
2-(Benzotriazol-1-yl)-3-(4-methylphenyl)-acrylonitrile
CID 5932306

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluorophenyl)benzotriazole?
The IUPAC name of 1-(5-ethyl-2-fluorophenyl)benzotriazole (CID 134345675) is 1-(5-ethyl-2-fluorophenyl)benzotriazole.
What is the SMILES notation for 1-(5-ethyl-2-fluorophenyl)benzotriazole?
The canonical SMILES for 1-(5-ethyl-2-fluorophenyl)benzotriazole is CCc1ccc(F)c(-n2nnc3ccccc32)c1.
What is the InChIKey of 1-(5-ethyl-2-fluorophenyl)benzotriazole?
The InChIKey is LRVWRLXTZOARCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-2-10-7-8-11(15)14(9-10)18-13-6-4-3-5-12(13)16-17-18/h3-9H,2H2,1H3.
What are the key properties of 1-(5-ethyl-2-fluorophenyl)benzotriazole?
1-(5-ethyl-2-fluorophenyl)benzotriazole has a molecular weight of 241.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluorophenyl)benzotriazole is sourced from PubChem (CID 134345675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).