[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine

C13H20ClFN2 — CID 103053845

IUPAC[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1cc(Cl)ccc1F)NN
InChIInChI=1S/C13H20ClFN2/c1-4-13(2,3)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,4,8,16H2,1-3H3
InChIKeyYEVJHSFXFVCUAB-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.29
Rot. Bonds5

About [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine

[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine (PubChem CID 103053845) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
PubChem CID103053845
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
SMILESCCC(C)(C)C(Cc1cc(Cl)ccc1F)NN
InChIInChI=1S/C13H20ClFN2/c1-4-13(2,3)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,4,8,16H2,1-3H3
InChIKeyYEVJHSFXFVCUAB-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.29
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-(2,5-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105309938
1-(5-chloro-2-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 103053634
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
[1-(5-chloro-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 103053888
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
[1-(3-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105286476
[1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-yl]hydrazine
CID 105239714
1-(5-chloro-2-fluorophenyl)octan-2-ylhydrazine
CID 103053822
1-(5-chloro-2-fluorophenyl)decan-2-ylhydrazine
CID 103053761
[2-(5-chloro-2-fluorophenyl)-1-(4-chloro-2-methylphenyl)ethyl]hydrazine
CID 114028450
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103048857
[2-(5-chloro-2-fluorophenyl)-1-(1-methylcyclopropyl)ethyl]hydrazine
CID 103053662

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The IUPAC name of [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine (CID 103053845) is [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine is CCC(C)(C)C(Cc1cc(Cl)ccc1F)NN.
What is the InChIKey of [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
The InChIKey is YEVJHSFXFVCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClFN2/c1-4-13(2,3)12(17-16)8-9-7-10(14)5-6-11(9)15/h5-7,12,17H,4,8,16H2,1-3H3.
What are the key properties of [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine?
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine has a molecular weight of 258.77 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine is sourced from PubChem (CID 103053845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).