1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole

C20H14Cl2FN3 — CID 164686757

IUPAC1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole
SMILESFCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C20H14Cl2FN3/c21-16-9-5-14(6-10-16)20(13-23,15-7-11-17(22)12-8-15)26-19-4-2-1-3-18(19)24-25-26/h1-12H,13H2
InChIKeyYTOSBGHELBLZTB-UHFFFAOYSA-N
MW386.26 g/mol
LogP5.50
Rot. Bonds4

About 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole

1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole (PubChem CID 164686757) has the molecular formula C20H14Cl2FN3 and a molecular weight of 386.26 g/mol. Its IUPAC name is 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole.

Molecular Properties

Compound Name1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole
PubChem CID164686757
Molecular FormulaC20H14Cl2FN3
Molecular Weight386.26 g/mol
Exact Mass385.05
IUPAC Name1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole
SMILESFCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1nnc2ccccc21
InChIInChI=1S/C20H14Cl2FN3/c21-16-9-5-14(6-10-16)20(13-23,15-7-11-17(22)12-8-15)26-19-4-2-1-3-18(19)24-25-26/h1-12H,13H2
InChIKeyYTOSBGHELBLZTB-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.26
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
1-[[5-(4-Chloro-2-fluorophenyl)-2-pyridinyl]methyl]benzotriazole
CID 155519836
1-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]benzotriazole
CID 155523303
1-[[4-(2,4-Difluorophenyl)phenyl]methyl]benzotriazole
CID 155549028
1-[[4-(4-Chloro-2-fluorophenyl)phenyl]methyl]benzotriazole
CID 155551721
1-[[4-[2-Chloro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155560423
1-(2-chlorobenzyl)-1H-benzo[d][1,2,3]triazole
CID 889397
1-[(4-Chlorophenyl)methyl]-1H-1,2,3-benzotriazole
CID 894883
(E)-2-(benzotriazol-1-yl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 6474807
1-(2,4-Dichlorobenzyl)-1H-1,2,3-benzotriazole
CID 594606
1-Tritylbenzotriazole
CID 3831542
(E)-2-(benzotriazol-1-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
CID 6477933

Frequently Asked Questions

What is the IUPAC name of 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole?
The IUPAC name of 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole (CID 164686757) is 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole.
What is the SMILES notation for 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole?
The canonical SMILES for 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole is FCC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)n1nnc2ccccc21.
What is the InChIKey of 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole?
The InChIKey is YTOSBGHELBLZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN3/c21-16-9-5-14(6-10-16)20(13-23,15-7-11-17(22)12-8-15)26-19-4-2-1-3-18(19)24-25-26/h1-12H,13H2.
What are the key properties of 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole?
1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole has a molecular weight of 386.26 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-bis(4-chlorophenyl)-2-fluoroethyl]benzotriazole is sourced from PubChem (CID 164686757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).