[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine

C12H18ClFN2O — CID 105274485

IUPAC[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
SMILESCCC(C)(OC)C(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O/c1-4-12(2,17-3)11(16-15)9-6-5-8(13)7-10(9)14/h5-7,11,16H,4,15H2,1-3H3
InChIKeyFPHWBKXXNNSUGM-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.80
Rot. Bonds5

About [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine

[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine (PubChem CID 105274485) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine.

Molecular Properties

Compound Name[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
PubChem CID105274485
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine
SMILESCCC(C)(OC)C(NN)c1ccc(Cl)cc1F
InChIInChI=1S/C12H18ClFN2O/c1-4-12(2,17-3)11(16-15)9-6-5-8(13)7-10(9)14/h5-7,11,16H,4,15H2,1-3H3
InChIKeyFPHWBKXXNNSUGM-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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Related Compounds

1-(4-chloro-2-fluorophenyl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760823
5-chloro-3-(1-hydrazinyl-2-methoxy-2-methylbutyl)pyridin-2-amine
CID 105274490
1-(4-chloro-2-fluorophenyl)-2,2-dimethylbutan-1-amine
CID 105022655
[2-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutyl]hydrazine
CID 103436158
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
methyl (3S)-3-amino-3-(4-chloro-2-fluorophenyl)-2,2-dimethylpropanoate
CID 171240640
1-(5-chloro-1-benzofuran-2-yl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 114731317
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274512
[1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245389
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737
[1-(4-chloro-2-fluorophenyl)-4-ethoxybutyl]hydrazine
CID 105328383
[(4-chloro-2-fluorophenyl)-(4-chloro-2-methylphenyl)methyl]hydrazine
CID 114028440

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine?
The IUPAC name of [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine (CID 105274485) is [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine.
What is the SMILES notation for [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine?
The canonical SMILES for [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine is CCC(C)(OC)C(NN)c1ccc(Cl)cc1F.
What is the InChIKey of [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine?
The InChIKey is FPHWBKXXNNSUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClFN2O/c1-4-12(2,17-3)11(16-15)9-6-5-8(13)7-10(9)14/h5-7,11,16H,4,15H2,1-3H3.
What are the key properties of [1-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine?
[1-(4-chloro-2-fluorophenyl)-2-methoxy-2-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-(4-chloro-2-fluorophenyl)-2-methoxy-2-methylbutyl]hydrazine is sourced from PubChem (CID 105274485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).