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

C12H18ClFN2O — CID 105245389

IUPAC[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1ccc(Cl)cc1F)NN
InChIInChI=1S/C12H18ClFN2O/c1-12(2,17-3)11(16-15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,16H,6,15H2,1-3H3
InChIKeyQWMNGZVTZRFLRX-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.28
Rot. Bonds5

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

[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (PubChem CID 105245389) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
PubChem CID105245389
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
SMILESCOC(C)(C)C(Cc1ccc(Cl)cc1F)NN
InChIInChI=1S/C12H18ClFN2O/c1-12(2,17-3)11(16-15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,16H,6,15H2,1-3H3
InChIKeyQWMNGZVTZRFLRX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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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Related Compounds

[1-(2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245348
1-(5-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 103048890
[1-(2-chloro-4-methylphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106868583
[1-(5-bromo-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245363
1-(2-chloro-4-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 79197437
[2-(4-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105190866
[3-(4-chloro-2-fluorophenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265121
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
[1-(5-chloro-2-fluorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 103053845
[1-(2-bromophenyl)-3-(4-chloro-2-fluorophenyl)propan-2-yl]hydrazine
CID 105214935
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
[1-(3-bromo-2,6-difluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 106271060

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine (CID 105245389) is [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is COC(C)(C)C(Cc1ccc(Cl)cc1F)NN.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
The InChIKey is QWMNGZVTZRFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-12(2,17-3)11(16-15)6-8-4-5-9(13)7-10(8)14/h4-5,7,11,16H,6,15H2,1-3H3.
What are the key properties of [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine?
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine has a molecular weight of 260.74 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine is sourced from PubChem (CID 105245389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).