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

C14H22F2N2O — CID 105271512

IUPAC[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H22F2N2O/c1-3-6-13(19-4-2)12(18-17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13,18H,3-4,6,9,17H2,1-2H3
InChIKeyHOLRAGFPDGWXAF-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.54
Rot. Bonds8

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

[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine (PubChem CID 105271512) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
PubChem CID105271512
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
SMILESCCCC(OCC)C(Cc1cccc(F)c1F)NN
InChIInChI=1S/C14H22F2N2O/c1-3-6-13(19-4-2)12(18-17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13,18H,3-4,6,9,17H2,1-2H3
InChIKeyHOLRAGFPDGWXAF-UHFFFAOYSA-N
XLogP2.54
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.54
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-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
[1-(2,5-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271314
[3-(2,3-difluorophenyl)-1,1-difluoropropan-2-yl]hydrazine
CID 105265224
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
[1-(2,3-difluorophenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273557
[1-(2,3-difluorophenyl)-4-methylheptan-2-yl]hydrazine
CID 105298128
[3-ethoxy-1-(2-fluorophenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105273741
[1-(2,5-difluorophenyl)-3-ethoxypentan-2-yl]hydrazine
CID 105270973
1,2-difluoro-3-(2-propylhexyl)benzene
CID 134378783
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine?
The IUPAC name of [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine (CID 105271512) is [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine?
The canonical SMILES for [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine is CCCC(OCC)C(Cc1cccc(F)c1F)NN.
What is the InChIKey of [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine?
The InChIKey is HOLRAGFPDGWXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-3-6-13(19-4-2)12(18-17)9-10-7-5-8-11(15)14(10)16/h5,7-8,12-13,18H,3-4,6,9,17H2,1-2H3.
What are the key properties of [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine?
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine has a molecular weight of 272.34 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine is sourced from PubChem (CID 105271512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).