6-(4-fluorophenyl)thiazinane

C10H12FNS — CID 139542054

IUPAC6-(4-fluorophenyl)thiazinane
SMILESFc1ccc(C2CCCNS2)cc1
InChIInChI=1S/C10H12FNS/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10/h3-6,10,12H,1-2,7H2
InChIKeyMLEVSUZPIAKPMF-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.90
Rot. Bonds1

About 6-(4-fluorophenyl)thiazinane

6-(4-fluorophenyl)thiazinane (PubChem CID 139542054) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 6-(4-fluorophenyl)thiazinane.

Molecular Properties

Compound Name6-(4-fluorophenyl)thiazinane
PubChem CID139542054
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name6-(4-fluorophenyl)thiazinane
SMILESFc1ccc(C2CCCNS2)cc1
InChIInChI=1S/C10H12FNS/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10/h3-6,10,12H,1-2,7H2
InChIKeyMLEVSUZPIAKPMF-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(4-fluorophenyl)piperidine;hydrochloride
CID 115039873
1-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
5-(4-fluorophenyl)-1,4-diazocane
CID 58295234
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
(2S,3S)-2-(4-fluorophenyl)-3-methylpyrrolidine
CID 82409458
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887
(2S,5R)-2-(4-fluorophenyl)-5-methylpyrrolidine
CID 124509740
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867
5-fluoro-2-[(2S)-pyrrolidin-2-yl]pyridine
CID 55277524

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)thiazinane?
The IUPAC name of 6-(4-fluorophenyl)thiazinane (CID 139542054) is 6-(4-fluorophenyl)thiazinane.
What is the SMILES notation for 6-(4-fluorophenyl)thiazinane?
The canonical SMILES for 6-(4-fluorophenyl)thiazinane is Fc1ccc(C2CCCNS2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)thiazinane?
The InChIKey is MLEVSUZPIAKPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c11-9-5-3-8(4-6-9)10-2-1-7-12-13-10/h3-6,10,12H,1-2,7H2.
What are the key properties of 6-(4-fluorophenyl)thiazinane?
6-(4-fluorophenyl)thiazinane has a molecular weight of 197.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)thiazinane is sourced from PubChem (CID 139542054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).