[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine

C12H18ClFN2O — CID 103025528

IUPAC[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C12H18ClFN2O/c1-12(2,17-3)7-11(16-15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7,15H2,1-3H3
InChIKeyBLKQYNLQPKLCMM-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.80
Rot. Bonds5

About [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine

[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine (PubChem CID 103025528) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
PubChem CID103025528
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
SMILESCOC(C)(C)CC(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C12H18ClFN2O/c1-12(2,17-3)7-11(16-15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7,15H2,1-3H3
InChIKeyBLKQYNLQPKLCMM-UHFFFAOYSA-N
XLogP2.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine (CID 103025528) is [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine is COC(C)(C)CC(NN)c1cc(F)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
The InChIKey is BLKQYNLQPKLCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-12(2,17-3)7-11(16-15)9-6-8(14)4-5-10(9)13/h4-6,11,16H,7,15H2,1-3H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine has a molecular weight of 260.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine is sourced from PubChem (CID 103025528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).