2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane

C11H13ClFNS — CID 114488651

IUPAC2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2cccc(Cl)c2F)SC1
InChIInChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyNZSJHYAARMKJLZ-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.45
Rot. Bonds1

About 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane

2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane (PubChem CID 114488651) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
PubChem CID114488651
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC Name2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
SMILESCC1CNC(c2cccc(Cl)c2F)SC1
InChIInChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3
InChIKeyNZSJHYAARMKJLZ-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
CID 114488647
2-(5-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114859868
2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazinane
CID 66225254
2-(2-ethylphenyl)-5-methyl-1,3-thiazinane
CID 66225711
3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
5-methyl-2-(2-methylfuran-3-yl)-1,3-thiazinane
CID 130698471
2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 129059415
3-[4-(3-chloro-2-fluorophenyl)-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 129059515
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
5-methyl-2-(5-methylthiophen-2-yl)-1,3-thiazinane
CID 66227054
7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
CID 144948381
2-(2-chlorophenyl)-5-methylpiperidine
CID 84723051

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane (CID 114488651) is 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane is CC1CNC(c2cccc(Cl)c2F)SC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
The InChIKey is NZSJHYAARMKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c1-7-5-14-11(15-6-7)8-3-2-4-9(12)10(8)13/h2-4,7,11,14H,5-6H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane?
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane has a molecular weight of 245.75 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane is sourced from PubChem (CID 114488651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).