1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid

C10H12ClF3N2O2 — CID 24798854

IUPAC1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid
SMILESCN(N)Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11ClN2.C2HF3O2/c1-11(10)6-7-2-4-8(9)5-3-7;3-2(4,5)1(6)7/h2-5H,6,10H2,1H3;(H,6,7)
InChIKeyDIUQEPMZLAJQAI-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.28
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid

1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid (PubChem CID 24798854) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid
PubChem CID24798854
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid
SMILESCN(N)Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11ClN2.C2HF3O2/c1-11(10)6-7-2-4-8(9)5-3-7;3-2(4,5)1(6)7/h2-5H,6,10H2,1H3;(H,6,7)
InChIKeyDIUQEPMZLAJQAI-UHFFFAOYSA-N
XLogP2.28
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-ethyl-N-methylbutanamide
CID 115432066
3-amino-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 39246978
3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62231249
2-amino-3-[(4-chlorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 115179376
[1-amino-3-(4-chlorophenyl)propan-2-yl]-methylcarbamic acid
CID 146584607
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N,N-bis[(4-chlorophenyl)methyl]acetamide
CID 22660922
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
4-[(4-chlorophenyl)methyl-methylamino]butanamide
CID 14627807
(Z)-2,3-diamino-3-[amino-[(4-chlorophenyl)methyl]amino]prop-2-enoic acid
CID 144730892
4-chloro-2-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol;bis(2,2,2-trifluoroacetic acid)
CID 46907950
4-amino-N-[(4-chlorophenyl)methyl]-N,3,3-trimethylbutanamide
CID 115157372

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid (CID 24798854) is 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid is CN(N)Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is DIUQEPMZLAJQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2.C2HF3O2/c1-11(10)6-7-2-4-8(9)5-3-7;3-2(4,5)1(6)7/h2-5H,6,10H2,1H3;(H,6,7).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid?
1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 284.67 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-methylhydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24798854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).