1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine

C17H20F2N2O — CID 169385920

IUPAC1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
SMILESCCCCOc1cc(F)c(CNNc2ccccc2)c(F)c1
InChIInChI=1S/C17H20F2N2O/c1-2-3-9-22-14-10-16(18)15(17(19)11-14)12-20-21-13-7-5-4-6-8-13/h4-8,10-11,20-21H,2-3,9,12H2,1H3
InChIKeyDBFJLDWJZMATBJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.26
Rot. Bonds8

About 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine

1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine (PubChem CID 169385920) has the molecular formula C17H20F2N2O and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
PubChem CID169385920
Molecular FormulaC17H20F2N2O
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
SMILESCCCCOc1cc(F)c(CNNc2ccccc2)c(F)c1
InChIInChI=1S/C17H20F2N2O/c1-2-3-9-22-14-10-16(18)15(17(19)11-14)12-20-21-13-7-5-4-6-8-13/h4-8,10-11,20-21H,2-3,9,12H2,1H3
InChIKeyDBFJLDWJZMATBJ-UHFFFAOYSA-N
XLogP4.26
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-ethoxy-2-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385540
1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384801
1-[(4-fluoro-3-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384787
1-[(3,5-difluoro-4-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384890
1-[(3,5-difluoro-2-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384804
2-fluoro-4-hexoxy-N-phenylaniline
CID 160967135
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
1-phenyl-2-[[4-[(3,4,5-trifluorophenoxy)methyl]phenyl]methyl]hydrazine
CID 169384996
1-[(3-methyl-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384784
1-[(5-methyl-2-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384807
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384780
1-[(2-ethoxy-3,5-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385910

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine (CID 169385920) is 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine is CCCCOc1cc(F)c(CNNc2ccccc2)c(F)c1.
What is the InChIKey of 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine?
The InChIKey is DBFJLDWJZMATBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O/c1-2-3-9-22-14-10-16(18)15(17(19)11-14)12-20-21-13-7-5-4-6-8-13/h4-8,10-11,20-21H,2-3,9,12H2,1H3.
What are the key properties of 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine?
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine has a molecular weight of 306.36 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).