1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole

C8H5ClFN3 — CID 134987646

IUPAC1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
SMILESF/C(=C\Cl)n1nnc2ccccc21
InChIInChI=1S/C8H5ClFN3/c9-5-8(10)13-7-4-2-1-3-6(7)11-12-13/h1-5H/b8-5+
InChIKeyHLEYABZNFAXUAU-VMPITWQZSA-N
MW197.60 g/mol
LogP2.40
Rot. Bonds1

About 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole

1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole (PubChem CID 134987646) has the molecular formula C8H5ClFN3 and a molecular weight of 197.60 g/mol. Its IUPAC name is 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole.

Molecular Properties

Compound Name1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
PubChem CID134987646
Molecular FormulaC8H5ClFN3
Molecular Weight197.60 g/mol
Exact Mass197.02
IUPAC Name1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
SMILESF/C(=C\Cl)n1nnc2ccccc21
InChIInChI=1S/C8H5ClFN3/c9-5-8(10)13-7-4-2-1-3-6(7)11-12-13/h1-5H/b8-5+
InChIKeyHLEYABZNFAXUAU-VMPITWQZSA-N
XLogP2.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
benzotriazol-1-yl-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 178012586
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]benzotriazole
CID 15321653
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-[(E)-1-bromobut-1-enyl]benzotriazole
CID 26793587
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
benzotriazol-1-yl-(3,3-difluoroazetidin-1-yl)methanimine
CID 86684702
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750
benzotriazol-1-yl-(3,5-dichlorophenyl)methanone
CID 146164024
benzotriazol-1-yl-(2-chloro-6-fluorophenyl)methanone
CID 793683
1-(3-bromo-1-ethoxyprop-1-enyl)benzotriazole
CID 3694394
CID 68739763
CID 68739763

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole?
The IUPAC name of 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole (CID 134987646) is 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole.
What is the SMILES notation for 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole?
The canonical SMILES for 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole is F/C(=C\Cl)n1nnc2ccccc21.
What is the InChIKey of 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole?
The InChIKey is HLEYABZNFAXUAU-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5ClFN3/c9-5-8(10)13-7-4-2-1-3-6(7)11-12-13/h1-5H/b8-5+.
What are the key properties of 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole?
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole has a molecular weight of 197.60 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole is sourced from PubChem (CID 134987646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).