[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine

C15H14F2N2OS — CID 106602173

IUPAC[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1CSc2ccccc2O1
InChIInChI=1S/C15H14F2N2OS/c16-10-6-5-9(7-11(10)17)15(19-18)13-8-21-14-4-2-1-3-12(14)20-13/h1-7,13,15,19H,8,18H2
InChIKeyXRZLTWKMIBJZQF-UHFFFAOYSA-N
MW308.35 g/mol
LogP3.02
Rot. Bonds3

About [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine

[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine (PubChem CID 106602173) has the molecular formula C15H14F2N2OS and a molecular weight of 308.35 g/mol. Its IUPAC name is [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
PubChem CID106602173
Molecular FormulaC15H14F2N2OS
Molecular Weight308.35 g/mol
Exact Mass308.08
IUPAC Name[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(F)c(F)c1)C1CSc2ccccc2O1
InChIInChI=1S/C15H14F2N2OS/c16-10-6-5-9(7-11(10)17)15(19-18)13-8-21-14-4-2-1-3-12(14)20-13/h1-7,13,15,19H,8,18H2
InChIKeyXRZLTWKMIBJZQF-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methyl]hydrazine
CID 106602250
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
CID 106602146
[2,3-dihydro-1,4-benzoxathiin-2-yl-(5-methylthiophen-2-yl)methyl]hydrazine
CID 106602323
1-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methylmethanamine
CID 106601524
[(3-bromofuran-2-yl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine
CID 106602256
1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 106601575
2,3-dihydro-1,4-benzoxathiin-2-yl-(2-fluoro-5-methylphenyl)methanamine
CID 106601347
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylbut-2-enyl]hydrazine
CID 106602260
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-ethylpentyl]hydrazine
CID 106602161
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-2-methylpentyl]hydrazine
CID 107895416
[(3,4-difluorophenyl)-(oxan-4-yl)methyl]hydrazine
CID 105197058
[(3,4-difluorophenyl)-(5-methyloxolan-3-yl)methyl]hydrazine
CID 105305016

Frequently Asked Questions

What is the IUPAC name of [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The IUPAC name of [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine (CID 106602173) is [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The canonical SMILES for [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine is NNC(c1ccc(F)c(F)c1)C1CSc2ccccc2O1.
What is the InChIKey of [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
The InChIKey is XRZLTWKMIBJZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2OS/c16-10-6-5-9(7-11(10)17)15(19-18)13-8-21-14-4-2-1-3-12(14)20-13/h1-7,13,15,19H,8,18H2.
What are the key properties of [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine?
[(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine has a molecular weight of 308.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3,4-difluorophenyl)-(2,3-dihydro-1,4-benzoxathiin-2-yl)methyl]hydrazine is sourced from PubChem (CID 106602173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).