[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

C16H17F3N2 — CID 105215076

IUPAC[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C16H17F3N2/c1-9-3-4-11(7-10(9)2)8-14(21-20)12-5-6-13(17)16(19)15(12)18/h3-7,14,21H,8,20H2,1-2H3
InChIKeyJKVADAVTAQRTAO-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.47
Rot. Bonds4

About [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine

[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (PubChem CID 105215076) has the molecular formula C16H17F3N2 and a molecular weight of 294.32 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
PubChem CID105215076
Molecular FormulaC16H17F3N2
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Name[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
SMILESCc1ccc(CC(NN)c2ccc(F)c(F)c2F)cc1C
InChIInChI=1S/C16H17F3N2/c1-9-3-4-11(7-10(9)2)8-14(21-20)12-5-6-13(17)16(19)15(12)18/h3-7,14,21H,8,20H2,1-2H3
InChIKeyJKVADAVTAQRTAO-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(5-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105378026
[1-(2,4-difluoro-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290044
[2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)ethyl]hydrazine
CID 105215123
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
[2-(4-fluoro-2-methylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine
CID 105340770
[1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 107948068
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356
[1-(2-bromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105208668
[1-(2-bromo-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290064
[1-(5-chloro-2-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105293076
[2-(4-ethylphenyl)-1-(5-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105211491
[1-(2,3-dichlorophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105215164

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine (CID 105215076) is [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is Cc1ccc(CC(NN)c2ccc(F)c(F)c2F)cc1C.
What is the InChIKey of [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
The InChIKey is JKVADAVTAQRTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2/c1-9-3-4-11(7-10(9)2)8-14(21-20)12-5-6-13(17)16(19)15(12)18/h3-7,14,21H,8,20H2,1-2H3.
What are the key properties of [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine?
[2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine has a molecular weight of 294.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)-1-(2,3,4-trifluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105215076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).