[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine

C12H17FN2OS — CID 105255403

IUPAC[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)C2CCCS2)c1F
InChIInChI=1S/C12H17FN2OS/c1-16-9-5-2-4-8(11(9)13)12(15-14)10-6-3-7-17-10/h2,4-5,10,12,15H,3,6-7,14H2,1H3
InChIKeyHSFCYFIESQLMMV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.23
Rot. Bonds4

About [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine

[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255403) has the molecular formula C12H17FN2OS and a molecular weight of 256.35 g/mol. Its IUPAC name is [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255403
Molecular FormulaC12H17FN2OS
Molecular Weight256.35 g/mol
Exact Mass256.10
IUPAC Name[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1cccc(C(NN)C2CCCS2)c1F
InChIInChI=1S/C12H17FN2OS/c1-16-9-5-2-4-8(11(9)13)12(15-14)10-6-3-7-17-10/h2,4-5,10,12,15H,3,6-7,14H2,1H3
InChIKeyHSFCYFIESQLMMV-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.23
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-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255493
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
CID 104794195
[3-bicyclo[3.1.0]hexanyl-(2-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105329307
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
1-(2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 80626263
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
[2-cycloheptyl-1-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105329278
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
N-[(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 82768915
(5-fluoro-2-methoxyphenyl)-(thiolan-2-yl)methanol
CID 82769769
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185

Frequently Asked Questions

What is the IUPAC name of [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255403) is [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine is COc1cccc(C(NN)C2CCCS2)c1F.
What is the InChIKey of [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is HSFCYFIESQLMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2OS/c1-16-9-5-2-4-8(11(9)13)12(15-14)10-6-3-7-17-10/h2,4-5,10,12,15H,3,6-7,14H2,1H3.
What are the key properties of [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 256.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).