[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine

C11H14ClF3N2 — CID 105313900

IUPAC[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCc1ccc(C(CCC(F)(F)F)NN)cc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-7-2-3-8(6-9(7)12)10(17-16)4-5-11(13,14)15/h2-3,6,10,17H,4-5,16H2,1H3
InChIKeyFXZJOLLAOPRNKS-UHFFFAOYSA-N
MW266.69 g/mol
LogP3.50
Rot. Bonds4

About [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine

[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105313900) has the molecular formula C11H14ClF3N2 and a molecular weight of 266.69 g/mol. Its IUPAC name is [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105313900
Molecular FormulaC11H14ClF3N2
Molecular Weight266.69 g/mol
Exact Mass266.08
IUPAC Name[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCc1ccc(C(CCC(F)(F)F)NN)cc1Cl
InChIInChI=1S/C11H14ClF3N2/c1-7-2-3-8(6-9(7)12)10(17-16)4-5-11(13,14)15/h2-3,6,10,17H,4-5,16H2,1H3
InChIKeyFXZJOLLAOPRNKS-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloro-4-methylphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315126
[1-(3-chloro-4-methylphenyl)-5-methylhexyl]hydrazine
CID 105331315
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
[2-tert-butylsulfanyl-1-(3-chloro-4-methylphenyl)ethyl]hydrazine
CID 107562353
[1-(3-chloro-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 107562550
[1-(3-chloro-4-methylphenyl)-3-ethylpentyl]hydrazine
CID 105331071
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine (CID 105313900) is [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine is Cc1ccc(C(CCC(F)(F)F)NN)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is FXZJOLLAOPRNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N2/c1-7-2-3-8(6-9(7)12)10(17-16)4-5-11(13,14)15/h2-3,6,10,17H,4-5,16H2,1H3.
What are the key properties of [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 266.69 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105313900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).