1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine

C17H17F3N2 — CID 144838535

IUPAC1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
SMILESCc1ccccc1/C=C/c1c(N(C)N)cccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2/c1-12-6-3-4-7-13(12)10-11-14-15(17(18,19)20)8-5-9-16(14)22(2)21/h3-11H,21H2,1-2H3/b11-10+
InChIKeyHCCBQRUXJGAGEF-ZHACJKMWSA-N
MW306.33 g/mol
LogP4.49
Rot. Bonds3

About 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine

1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine (PubChem CID 144838535) has the molecular formula C17H17F3N2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
PubChem CID144838535
Molecular FormulaC17H17F3N2
Molecular Weight306.33 g/mol
Exact Mass306.13
IUPAC Name1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine
SMILESCc1ccccc1/C=C/c1c(N(C)N)cccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2/c1-12-6-3-4-7-13(12)10-11-14-15(17(18,19)20)8-5-9-16(14)22(2)21/h3-11H,21H2,1-2H3/b11-10+
InChIKeyHCCBQRUXJGAGEF-ZHACJKMWSA-N
XLogP4.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

1-[2-[(E)-2-(2-cyclopropylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine;formohydrazide
CID 144839061
formohydrazide;1-[2-[(E)-2-(furan-2-yl)ethenyl]-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838244
1-methyl-1-[3-methyl-2-[(E)-2-pyridin-2-ylethenyl]phenyl]hydrazine
CID 144838939
1-N-methyl-1-N-[2-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 63760135
N-tert-butyl-N-[2-(trifluoromethyl)phenyl]hydroxylamine
CID 58113742
1-methyl-2-[6-(2-methylphenyl)hexa-1,3,5-trienyl]benzene
CID 2729839
1-[2-benzylsulfanyl-3-(trifluoromethyl)phenyl]-1-methylhydrazine
CID 144838587
2-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylaniline
CID 51349716
5-methyl-3-[2-[2-(trifluoromethyl)phenyl]ethenyl]-1,2-oxazol-4-amine
CID 57365042
1-[(Z)-prop-1-enyl]-2-(trifluoromethyl)benzene
CID 143260561
1-(2-iodo-3-methylphenyl)-1-methylhydrazine
CID 155217880
2,6-dimethyl-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]phenol
CID 14771913

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine (CID 144838535) is 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine is Cc1ccccc1/C=C/c1c(N(C)N)cccc1C(F)(F)F.
What is the InChIKey of 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is HCCBQRUXJGAGEF-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H17F3N2/c1-12-6-3-4-7-13(12)10-11-14-15(17(18,19)20)8-5-9-16(14)22(2)21/h3-11H,21H2,1-2H3/b11-10+.
What are the key properties of 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine?
1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 306.33 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-[(E)-2-(2-methylphenyl)ethenyl]-3-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 144838535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).