1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole

C15H11F2N3 — CID 156786178

IUPAC1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
SMILESFC(F)/C=C(/c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H11F2N3/c16-15(17)10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-19-20/h1-10,15H/b14-10-
InChIKeyPQUFTEPIKNXYLV-UVTDQMKNSA-N
MW271.27 g/mol
LogP3.59
Rot. Bonds3

About 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole

1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole (PubChem CID 156786178) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole.

Molecular Properties

Compound Name1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
PubChem CID156786178
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
SMILESFC(F)/C=C(/c1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C15H11F2N3/c16-15(17)10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-19-20/h1-10,15H/b14-10-
InChIKeyPQUFTEPIKNXYLV-UVTDQMKNSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diphenylbuta-1,3-dienyl)benzotriazole
CID 3851457
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
(Z)-3-(benzotriazol-1-yl)-3-pyridin-4-ylprop-2-enenitrile
CID 11118377
1-[(E)-1-(2-propan-2-ylphenyl)prop-1-enyl]benzotriazole
CID 154939480
1-[1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]benzotriazole
CID 15321653
(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
CID 135717547
(3S)-1-(benzotriazol-1-yl)-3-phenylbutan-1-one
CID 40567507
(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
CID 102168349
1-(1-phenylsulfanylprop-1-enyl)benzotriazole
CID 3839750
1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
CID 135064802

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole?
The IUPAC name of 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole (CID 156786178) is 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole.
What is the SMILES notation for 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole?
The canonical SMILES for 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole is FC(F)/C=C(/c1ccccc1)n1nnc2ccccc21.
What is the InChIKey of 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole?
The InChIKey is PQUFTEPIKNXYLV-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-15(17)10-14(11-6-2-1-3-7-11)20-13-9-5-4-8-12(13)18-19-20/h1-10,15H/b14-10-.
What are the key properties of 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole?
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole has a molecular weight of 271.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole is sourced from PubChem (CID 156786178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).