2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane

C12H15F2NOS — CID 66233100

IUPAC2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccccc2OC(F)F)N1
InChIInChI=1S/C12H15F2NOS/c1-8-6-7-17-11(15-8)9-4-2-3-5-10(9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyBVQAZPLRLMCSJK-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane

2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane (PubChem CID 66233100) has the molecular formula C12H15F2NOS and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane
PubChem CID66233100
Molecular FormulaC12H15F2NOS
Molecular Weight259.32 g/mol
Exact Mass259.08
IUPAC Name2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane
SMILESCC1CCSC(c2ccccc2OC(F)F)N1
InChIInChI=1S/C12H15F2NOS/c1-8-6-7-17-11(15-8)9-4-2-3-5-10(9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3
InChIKeyBVQAZPLRLMCSJK-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane (CID 66233100) is 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane is CC1CCSC(c2ccccc2OC(F)F)N1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane?
The InChIKey is BVQAZPLRLMCSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NOS/c1-8-6-7-17-11(15-8)9-4-2-3-5-10(9)16-12(13)14/h2-5,8,11-12,15H,6-7H2,1H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane?
2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane has a molecular weight of 259.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazinane is sourced from PubChem (CID 66233100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).