1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine

C20H25F3N4 — CID 144838740

IUPAC1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine
SMILESC=CNN.Cc1ccc(C)c(/C=C/c2c(N(C)N)cccc2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2.C2H6N2/c1-12-7-8-13(2)14(11-12)9-10-15-16(18(19,20)21)5-4-6-17(15)23(3)22;1-2-4-3/h4-11H,22H2,1-3H3;2,4H,1,3H2/b10-9+;
InChIKeyVACUVFICIIYSMR-RRABGKBLSA-N
MW378.44 g/mol
LogP4.40
Rot. Bonds4

About 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine

1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine (PubChem CID 144838740) has the molecular formula C20H25F3N4 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine.

Molecular Properties

Compound Name1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine
PubChem CID144838740
Molecular FormulaC20H25F3N4
Molecular Weight378.44 g/mol
Exact Mass378.20
IUPAC Name1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine
SMILESC=CNN.Cc1ccc(C)c(/C=C/c2c(N(C)N)cccc2C(F)(F)F)c1
InChIInChI=1S/C18H19F3N2.C2H6N2/c1-12-7-8-13(2)14(11-12)9-10-15-16(18(19,20)21)5-4-6-17(15)23(3)22;1-2-4-3/h4-11H,22H2,1-3H3;2,4H,1,3H2/b10-9+;
InChIKeyVACUVFICIIYSMR-RRABGKBLSA-N
XLogP4.40
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3,4,5,6-pentamethylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 2803783
1-[(2,3,4,5,6-Pentamethylphenyl)methylamino]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 4560676
1-(3,5-Dimethylphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 162538117
1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine
CID 162538118
N-Butyl-N-[2-methyl-4'-(trifluoromethyl)-1,1'-biphenyl-3-yl]amine
CID 18448423
2,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43100018
1-Methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 54356749
2-[2-(fluoroamino)ethyl]-3,6-dimethyl-N-phenylaniline
CID 57299195
N-[(4-aminophenyl)methyl]-2,3-dimethyl-4-(trifluoromethyl)aniline
CID 59231000
2,5-Dimethyl-4-[[4-(trifluoromethyl)anilino]methyl]aniline
CID 59231559
1-Methyl-7-trifluoromethyl-1,2,3,4-tetrahydro-cinnoline
CID 66846251
1-Methyl-5-trifluoromethyl-1,2,3,4-tetrahydro-cinnoline
CID 66847309

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine?
The IUPAC name of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine (CID 144838740) is 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine.
What is the SMILES notation for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine?
The canonical SMILES for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine is C=CNN.Cc1ccc(C)c(/C=C/c2c(N(C)N)cccc2C(F)(F)F)c1.
What is the InChIKey of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine?
The InChIKey is VACUVFICIIYSMR-RRABGKBLSA-N. The full InChI is InChI=1S/C18H19F3N2.C2H6N2/c1-12-7-8-13(2)14(11-12)9-10-15-16(18(19,20)21)5-4-6-17(15)23(3)22;1-2-4-3/h4-11H,22H2,1-3H3;2,4H,1,3H2/b10-9+;.
What are the key properties of 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine?
1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine has a molecular weight of 378.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-2-(2,5-dimethylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;ethenylhydrazine is sourced from PubChem (CID 144838740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).