[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine

C11H16F2N2O — CID 105412950

IUPAC[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C11H16F2N2O/c1-7(16-2)11(15-14)5-8-3-9(12)6-10(13)4-8/h3-4,6-7,11,15H,5,14H2,1-2H3
InChIKeyZUKJLAJBCUQKIV-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.37
Rot. Bonds5

About [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine

[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine (PubChem CID 105412950) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
PubChem CID105412950
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine
SMILESCOC(C)C(Cc1cc(F)cc(F)c1)NN
InChIInChI=1S/C11H16F2N2O/c1-7(16-2)11(15-14)5-8-3-9(12)6-10(13)4-8/h3-4,6-7,11,15H,5,14H2,1-2H3
InChIKeyZUKJLAJBCUQKIV-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.37
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-(3,5-difluorophenyl)-3,4-dimethylpentan-2-yl]hydrazine
CID 105413151
[1-(2-chloro-5-fluorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 102623380
[1-(3-bromo-5-fluorophenyl)-3-methoxyhexan-2-yl]hydrazine
CID 105271702
[1-cyclopropyl-3-(3,5-difluorophenyl)-1-ethoxypropan-2-yl]hydrazine
CID 105413016
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
[1-(3,5-difluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105206742
[1-(3-fluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105204829
1-(3,5-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 105406993
[2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105206699
[1-(2,5-dichlorophenyl)-3-methoxybutan-2-yl]hydrazine
CID 105247088
[1-(3,5-difluorophenyl)-3-ethoxypropan-2-yl]hydrazine
CID 105206665
1-(3,5-dimethylphenyl)-3-methoxy-N-methylbutan-2-amine
CID 79615977

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine (CID 105412950) is [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine is COC(C)C(Cc1cc(F)cc(F)c1)NN.
What is the InChIKey of [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine?
The InChIKey is ZUKJLAJBCUQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-7(16-2)11(15-14)5-8-3-9(12)6-10(13)4-8/h3-4,6-7,11,15H,5,14H2,1-2H3.
What are the key properties of [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine?
[1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine has a molecular weight of 230.26 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)-3-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105412950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).