[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

C12H16ClFN2OS — CID 102623389

IUPAC[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C12H16ClFN2OS/c13-10-2-1-9(14)5-8(10)6-11(16-15)12-7-18-4-3-17-12/h1-2,5,11-12,16H,3-4,6-7,15H2
InChIKeyMRBQSWYMZHQRGH-UHFFFAOYSA-N
MW290.79 g/mol
LogP1.99
Rot. Bonds4

About [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine

[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (PubChem CID 102623389) has the molecular formula C12H16ClFN2OS and a molecular weight of 290.79 g/mol. Its IUPAC name is [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
PubChem CID102623389
Molecular FormulaC12H16ClFN2OS
Molecular Weight290.79 g/mol
Exact Mass290.07
IUPAC Name[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C12H16ClFN2OS/c13-10-2-1-9(14)5-8(10)6-11(16-15)12-7-18-4-3-17-12/h1-2,5,11-12,16H,3-4,6-7,15H2
InChIKeyMRBQSWYMZHQRGH-UHFFFAOYSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 51.99
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-(2-chloro-5-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethyl]hydrazine
CID 102623373
2-(2,5-dichlorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963427
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
2-(2,5-dichlorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963248
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
[1-(1,4-oxathian-2-yl)-2-phenylethyl]hydrazine
CID 105249482
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
CID 105394546
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 103040293
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
[1-(1,4-oxathian-2-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105249760
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanol
CID 105373529

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine (CID 102623389) is [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is NNC(Cc1cc(F)ccc1Cl)C1CSCCO1.
What is the InChIKey of [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
The InChIKey is MRBQSWYMZHQRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2OS/c13-10-2-1-9(14)5-8(10)6-11(16-15)12-7-18-4-3-17-12/h1-2,5,11-12,16H,3-4,6-7,15H2.
What are the key properties of [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine?
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine has a molecular weight of 290.79 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 102623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).