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

C16H14F6N2 — CID 54356749

IUPAC1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCN(NCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F6N2/c1-24(14-7-3-6-13(9-14)16(20,21)22)23-10-11-4-2-5-12(8-11)15(17,18)19/h2-9,23H,10H2,1H3
InChIKeyUJQANAWKSQKQQS-UHFFFAOYSA-N
MW348.29 g/mol
LogP4.87
Rot. Bonds4

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

1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine (PubChem CID 54356749) has the molecular formula C16H14F6N2 and a molecular weight of 348.29 g/mol. Its IUPAC name is 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine
PubChem CID54356749
Molecular FormulaC16H14F6N2
Molecular Weight348.29 g/mol
Exact Mass348.11
IUPAC Name1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine
SMILESCN(NCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F6N2/c1-24(14-7-3-6-13(9-14)16(20,21)22)23-10-11-4-2-5-12(8-11)15(17,18)19/h2-9,23H,10H2,1H3
InChIKeyUJQANAWKSQKQQS-UHFFFAOYSA-N
XLogP4.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyto9C8
CID 2732644
Triazene, 1,3-bis[3,5-bis(trifluoromethyl)phenyl]-
CID 611676
1,2-Bis[3,5-bis(trifluoromethyl)phenyl]hydrazine
CID 2803763
US10626095, Example 58
CID 168489688
N-Phenyl-3-(trifluoromethyl)benzylamine
CID 10658372
N-Benzyl-3,5-bis(trifluoromethyl)aniline
CID 13339998
alpha-(2-Benzylhydrazino)N,N-dimethyl-p-toluidine
CID 24847053
N-methyl-3,5-bis(trifluoromethyl)aniline hydrochloride
CID 86655661
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
N-benzyl-3-(trifluoromethyl)aniline
CID 9964907
N-Methyl-3,5-bis(trifluoromethyl)aniline
CID 13803020

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The IUPAC name of 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine (CID 54356749) is 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The canonical SMILES for 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine is CN(NCc1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine?
The InChIKey is UJQANAWKSQKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2/c1-24(14-7-3-6-13(9-14)16(20,21)22)23-10-11-4-2-5-12(8-11)15(17,18)19/h2-9,23H,10H2,1H3.
What are the key properties of 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine?
1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine has a molecular weight of 348.29 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[3-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methyl]hydrazine is sourced from PubChem (CID 54356749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).