methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene

C10H9F3N2 — CID 14249019

IUPACmethyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene
SMILESC/N=N/C(=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3N2/c1-14-15-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-,15-14+
InChIKeyJOHRPONEBZYJSL-DKWVFZHTSA-N
MW214.19 g/mol
LogP3.67
Rot. Bonds2

About methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene

methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene (PubChem CID 14249019) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene.

Molecular Properties

Compound Namemethyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene
PubChem CID14249019
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Namemethyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene
SMILESC/N=N/C(=C\C(F)(F)F)c1ccccc1
InChIInChI=1S/C10H9F3N2/c1-14-15-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-,15-14+
InChIKeyJOHRPONEBZYJSL-DKWVFZHTSA-N
XLogP3.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(3,3-difluoro-1-phenylbut-1-enyl)benzene
CID 174901374
phenyl(1-phenylprop-1-enyl)diazene
CID 175288109
1-phenyl-N-[(E)-prop-1-enyl]ethanimine
CID 13099167
(Z)-2-benzamido-4,4,4-trifluorobut-2-enoic acid
CID 141167082
1,2,3-trimethoxy-5-[(E)-3,3,3-trifluoro-1-phenylprop-1-enyl]benzene
CID 132533219
(E)-2,2-difluoro-4-phenylpent-3-en-1-ol
CID 132517262
N-[(1Z)-1-phenylbuta-1,3-dienyl]methanimine
CID 142314562
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
2-(4-bromophenyl)-4,4,4-trifluoro-1-phenylbut-2-en-1-one
CID 71421957
N'-[(Z)-prop-1-enyl]benzenecarboximidamide
CID 137386486
(E)-2-methyl-3-phenylbut-2-enal
CID 13359373
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693

Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene?
The IUPAC name of methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene (CID 14249019) is methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene.
What is the SMILES notation for methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene?
The canonical SMILES for methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene is C/N=N/C(=C\C(F)(F)F)c1ccccc1.
What is the InChIKey of methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene?
The InChIKey is JOHRPONEBZYJSL-DKWVFZHTSA-N. The full InChI is InChI=1S/C10H9F3N2/c1-14-15-9(7-10(11,12)13)8-5-3-2-4-6-8/h2-7H,1H3/b9-7-,15-14+.
What are the key properties of methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene?
methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene has a molecular weight of 214.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-3,3,3-trifluoro-1-phenylprop-1-enyl]diazene is sourced from PubChem (CID 14249019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).