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

C13H20F2N2O — CID 105274512

IUPAC[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)(OC)C(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2O/c1-4-13(2,18-3)12(17-16)8-9-5-6-10(14)11(15)7-9/h5-7,12,17H,4,8,16H2,1-3H3
InChIKeyNOESELWCCLPDEQ-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.15
Rot. Bonds6

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

[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine (PubChem CID 105274512) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
PubChem CID105274512
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
SMILESCCC(C)(OC)C(Cc1ccc(F)c(F)c1)NN
InChIInChI=1S/C13H20F2N2O/c1-4-13(2,18-3)12(17-16)8-9-5-6-10(14)11(15)7-9/h5-7,12,17H,4,8,16H2,1-3H3
InChIKeyNOESELWCCLPDEQ-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.15
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'}

Analyze [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
1-(3,4-difluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 82922734
1-(3-bromo-4-fluorophenyl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757954
[1-(furan-3-yl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274402
[1-(3-bromo-5-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274397
[1-(3-fluoro-4-methoxyphenyl)-3-methoxy-3-methylbutan-2-yl]hydrazine
CID 105245358
[1-(3,4-difluorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105219724
[1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274346
1-(3,4-difluorophenyl)-3-ethoxy-N,3-diethylpentan-2-amine
CID 116760137
[1-(3,4-difluorophenyl)-4-methoxybutan-2-yl]hydrazine
CID 105206458
1-(4-chloro-3-fluorophenyl)-N,N-diethyl-2-hydrazinyl-3-methylpentan-3-amine
CID 107895162
[3-ethoxy-3-methyl-1-(3-methylphenyl)pentan-2-yl]hydrazine
CID 105274721

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine (CID 105274512) is [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine is CCC(C)(OC)C(Cc1ccc(F)c(F)c1)NN.
What is the InChIKey of [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
The InChIKey is NOESELWCCLPDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-4-13(2,18-3)12(17-16)8-9-5-6-10(14)11(15)7-9/h5-7,12,17H,4,8,16H2,1-3H3.
What are the key properties of [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine?
[1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine has a molecular weight of 258.31 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-difluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine is sourced from PubChem (CID 105274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).