[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine

C13H20ClFN2 — CID 105218176

IUPAC[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
SMILESCC(C)(C)CCC(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H20ClFN2/c1-13(2,3)7-6-12(17-16)9-4-5-11(15)10(14)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyVHYCNFUEIUMMGA-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.81
Rot. Bonds4

About [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine

[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine (PubChem CID 105218176) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
PubChem CID105218176
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
SMILESCC(C)(C)CCC(NN)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H20ClFN2/c1-13(2,3)7-6-12(17-16)9-4-5-11(15)10(14)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3
InChIKeyVHYCNFUEIUMMGA-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.81
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'}

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Related Compounds

[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
1-(3-chloro-4-fluorophenyl)decylhydrazine
CID 105218123
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132
1-(3-chloro-4-fluorophenyl)hex-5-enylhydrazine
CID 105218048
1-(3-chloro-4-fluorophenyl)but-3-enylhydrazine
CID 105218181
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
[1-(3-chloro-4-fluorophenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105218179
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
[1-(3,4-dichlorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026283
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine (CID 105218176) is [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine is CC(C)(C)CCC(NN)c1ccc(F)c(Cl)c1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine?
The InChIKey is VHYCNFUEIUMMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2/c1-13(2,3)7-6-12(17-16)9-4-5-11(15)10(14)8-9/h4-5,8,12,17H,6-7,16H2,1-3H3.
What are the key properties of [1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine?
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine has a molecular weight of 258.77 g/mol, XLogP of 3.81, 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-fluorophenyl)-4,4-dimethylpentyl]hydrazine is sourced from PubChem (CID 105218176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).