[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine

C12H18ClFN2 — CID 105198841

IUPAC[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
SMILESCC(C)CC(Cc1cccc(F)c1Cl)NN
InChIInChI=1S/C12H18ClFN2/c1-8(2)6-10(16-15)7-9-4-3-5-11(14)12(9)13/h3-5,8,10,16H,6-7,15H2,1-2H3
InChIKeyQYUNMJRTDPHBAE-UHFFFAOYSA-N
MW244.74 g/mol
LogP2.90
Rot. Bonds5

About [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine

[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine (PubChem CID 105198841) has the molecular formula C12H18ClFN2 and a molecular weight of 244.74 g/mol. Its IUPAC name is [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
PubChem CID105198841
Molecular FormulaC12H18ClFN2
Molecular Weight244.74 g/mol
Exact Mass244.11
IUPAC Name[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine
SMILESCC(C)CC(Cc1cccc(F)c1Cl)NN
InChIInChI=1S/C12H18ClFN2/c1-8(2)6-10(16-15)7-9-4-3-5-11(14)12(9)13/h3-5,8,10,16H,6-7,15H2,1-2H3
InChIKeyQYUNMJRTDPHBAE-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 52.90
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-chloro-3-fluorophenyl)-N,4-dimethylpentan-2-amine
CID 112653598
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
[1-(2-chloro-3-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215085
[1-(2-chloro-3-fluorophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-yl]hydrazine
CID 105215908
[1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212595
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
[1-(2-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170767
[1-(2-chloro-3-fluorophenyl)-3-(3-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105237086
[1-(2,6-difluorophenyl)-4,6-dimethylheptan-2-yl]hydrazine
CID 114201921
[1-(2,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105199055
1-(2-chloro-3-fluorophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 115983977
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine (CID 105198841) is [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine is CC(C)CC(Cc1cccc(F)c1Cl)NN.
What is the InChIKey of [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine?
The InChIKey is QYUNMJRTDPHBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2/c1-8(2)6-10(16-15)7-9-4-3-5-11(14)12(9)13/h3-5,8,10,16H,6-7,15H2,1-2H3.
What are the key properties of [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine?
[1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine has a molecular weight of 244.74 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-3-fluorophenyl)-4-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105198841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).