2-[bis(4-fluorophenyl)methyl]benzotriazole

C19H13F2N3 — CID 4587053

IUPAC2-[bis(4-fluorophenyl)methyl]benzotriazole
SMILESFc1ccc(C(c2ccc(F)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C19H13F2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H
InChIKeyKDFWRFMGSNGSMY-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.35
Rot. Bonds3

About 2-[bis(4-fluorophenyl)methyl]benzotriazole

2-[bis(4-fluorophenyl)methyl]benzotriazole (PubChem CID 4587053) has the molecular formula C19H13F2N3 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methyl]benzotriazole.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methyl]benzotriazole
PubChem CID4587053
Molecular FormulaC19H13F2N3
Molecular Weight321.33 g/mol
Exact Mass321.11
IUPAC Name2-[bis(4-fluorophenyl)methyl]benzotriazole
SMILESFc1ccc(C(c2ccc(F)cc2)n2nc3ccccc3n2)cc1
InChIInChI=1S/C19H13F2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H
InChIKeyKDFWRFMGSNGSMY-UHFFFAOYSA-N
XLogP4.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[benzotriazol-2-yl(phenyl)methyl]-N,N-dimethylaniline
CID 4269444
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CID 40530281
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
1-(1H-benzimidazol-2-yl)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-one
CID 59178296
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CID 144850475
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78891200
1-[1,3-benzothiazol-2-yl-(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 5185879
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
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CID 102355502

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methyl]benzotriazole?
The IUPAC name of 2-[bis(4-fluorophenyl)methyl]benzotriazole (CID 4587053) is 2-[bis(4-fluorophenyl)methyl]benzotriazole.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methyl]benzotriazole?
The canonical SMILES for 2-[bis(4-fluorophenyl)methyl]benzotriazole is Fc1ccc(C(c2ccc(F)cc2)n2nc3ccccc3n2)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methyl]benzotriazole?
The InChIKey is KDFWRFMGSNGSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)24-22-17-3-1-2-4-18(17)23-24/h1-12,19H.
What are the key properties of 2-[bis(4-fluorophenyl)methyl]benzotriazole?
2-[bis(4-fluorophenyl)methyl]benzotriazole has a molecular weight of 321.33 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methyl]benzotriazole is sourced from PubChem (CID 4587053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).