1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine

C17H16F6N2 — CID 162538118

IUPAC1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine
SMILESCc1cc(C)cc(N(N)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F6N2/c1-10-3-11(2)5-15(4-10)25(24)9-12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h3-8H,9,24H2,1-2H3
InChIKeyQZDQVIHVCGWSBF-UHFFFAOYSA-N
MW362.32 g/mol
LogP5.22
Rot. Bonds3

About 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine

1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine (PubChem CID 162538118) has the molecular formula C17H16F6N2 and a molecular weight of 362.32 g/mol. Its IUPAC name is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine.

Molecular Properties

Compound Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine
PubChem CID162538118
Molecular FormulaC17H16F6N2
Molecular Weight362.32 g/mol
Exact Mass362.12
IUPAC Name1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine
SMILESCc1cc(C)cc(N(N)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H16F6N2/c1-10-3-11(2)5-15(4-10)25(24)9-12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h3-8H,9,24H2,1-2H3
InChIKeyQZDQVIHVCGWSBF-UHFFFAOYSA-N
XLogP5.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.32
LogP ≤ 55.22
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'}

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Related Compounds

Hydrazine, 1-phenyl-1-(phenylmethyl)-, hydrochloride (1:1)
CID 79785
1-Benzylphenylhydrazine
CID 69192
1,2-Bis[3,5-bis(trifluoromethyl)phenyl]hydrazine
CID 2803763
N,N-Dimethyl-3,5-bis(trifluoromethyl)benzenamine
CID 2806908
N-Benzyl-3,5-bis(trifluoromethyl)aniline
CID 13339998
1-Ethyl-1-(m-tolyl)hydrazine
CID 44630285
N-[(2,3,4,5,6-pentamethylphenyl)methyl]-3,5-bis(trifluoromethyl)aniline
CID 2803783
N,N-dimethyl-N'-[(E)-phenylazo]-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 45481704
N'-[(E)-(2,5-difluorophenyl)azo]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 45481708
1-Benzyl-1-(4-fluorophenyl)hydrazine
CID 23043086
N-benzyl-3-methyl-5-(trifluoromethyl)aniline
CID 60058031
p-Aminophenylethyl-m-trifluoromethylphenyl piperazine
CID 129718209

Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine?
The IUPAC name of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine (CID 162538118) is 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine.
What is the SMILES notation for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine?
The canonical SMILES for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine is Cc1cc(C)cc(N(N)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine?
The InChIKey is QZDQVIHVCGWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6N2/c1-10-3-11(2)5-15(4-10)25(24)9-12-6-13(16(18,19)20)8-14(7-12)17(21,22)23/h3-8H,9,24H2,1-2H3.
What are the key properties of 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine?
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine has a molecular weight of 362.32 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-(3,5-dimethylphenyl)hydrazine is sourced from PubChem (CID 162538118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).