1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine

C8H8ClF3N2 — CID 82080672

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H8ClF3N2/c1-14(13)7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,13H2,1H3
InChIKeyQEHBPKANMWLXRS-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.67
Rot. Bonds1

About 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine

1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine (PubChem CID 82080672) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
PubChem CID82080672
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C8H8ClF3N2/c1-14(13)7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,13H2,1H3
InChIKeyQEHBPKANMWLXRS-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.67
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

methyl N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcarbamate
CID 110604261
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpropane-1-sulfonamide
CID 110604267
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 110604257
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-3-propan-2-ylurea
CID 110667992
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine chloride
CID 23004625
1-chloro-2-[methyl(propylsulfamoyl)amino]-4-(trifluoromethyl)benzene
CID 110613248
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
4-acetyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
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2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
CID 71212803
CID 71212803

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine (CID 82080672) is 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine is CN(N)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine?
The InChIKey is QEHBPKANMWLXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-14(13)7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,13H2,1H3.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine?
1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine has a molecular weight of 224.61 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 82080672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).