1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine

C16H18F2N2O — CID 169384890

IUPAC1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCOc1c(F)cc(CNNc2ccccc2)cc1F
InChIInChI=1S/C16H18F2N2O/c1-2-8-21-16-14(17)9-12(10-15(16)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-10,19-20H,2,8,11H2,1H3
InChIKeyNCQONNDMEUYZEH-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.87
Rot. Bonds7

About 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine

1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169384890) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169384890
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCOc1c(F)cc(CNNc2ccccc2)cc1F
InChIInChI=1S/C16H18F2N2O/c1-2-8-21-16-14(17)9-12(10-15(16)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-10,19-20H,2,8,11H2,1H3
InChIKeyNCQONNDMEUYZEH-UHFFFAOYSA-N
XLogP3.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384801
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
1-[(4-fluoro-3-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384787
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920
1-[(2-ethoxy-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385910
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
1-phenyl-2-[[2-propoxy-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 169386670
1-[[4-(bromomethyl)-3-fluorophenyl]methyl]-2-phenylhydrazine
CID 169387081
1-[[4-fluoro-2-(propoxymethyl)phenyl]methyl]-2-phenylhydrazine
CID 169385047
1-[(3-methyl-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384784
1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
CID 169384996

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine (CID 169384890) is 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine is CCCOc1c(F)cc(CNNc2ccccc2)cc1F.
What is the InChIKey of 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is NCQONNDMEUYZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-2-8-21-16-14(17)9-12(10-15(16)18)11-19-20-13-6-4-3-5-7-13/h3-7,9-10,19-20H,2,8,11H2,1H3.
What are the key properties of 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine?
1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 292.33 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).