[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine

C12H18F2N2 — CID 105219724

IUPAC[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C12H18F2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyFHFDBCJLHCLQQS-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.39
Rot. Bonds5

About [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine

[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine (PubChem CID 105219724) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
PubChem CID105219724
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)C(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C12H18F2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3
InChIKeyFHFDBCJLHCLQQS-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.39
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-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
[1-(3,4-dimethylphenyl)-3-methylpentan-2-yl]hydrazine
CID 105215198
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
[1-(5-bromo-2-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219642
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
1-(4-chloro-3-fluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 107884718
[1-(3,4-difluorophenyl)-5-methoxyhexan-2-yl]hydrazine
CID 105330394
1-(3,4-difluorophenyl)-N-ethyl-3-methoxy-4-methylpentan-2-amine
CID 116720190
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[1-(3,4-difluorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105296513

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine (CID 105219724) is [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine is CCC(C)C(Cc1ccc(F)c(F)c1)NN.
What is the InChIKey of [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine?
The InChIKey is FHFDBCJLHCLQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-3-8(2)12(16-15)7-9-4-5-10(13)11(14)6-9/h4-6,8,12,16H,3,7,15H2,1-2H3.
What are the key properties of [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine?
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine has a molecular weight of 228.29 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105219724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).