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

C12H14F3NOS — CID 66224206

IUPAC6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
SMILESCC1CCNC(c2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C12H14F3NOS/c1-8-6-7-16-11(18-8)9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyGMDBAPJRBFRQGR-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.70
Rot. Bonds2

About 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane

6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane (PubChem CID 66224206) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane.

Molecular Properties

Compound Name6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
PubChem CID66224206
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane
SMILESCC1CCNC(c2ccc(OC(F)(F)F)cc2)S1
InChIInChI=1S/C12H14F3NOS/c1-8-6-7-16-11(18-8)9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11,16H,6-7H2,1H3
InChIKeyGMDBAPJRBFRQGR-UHFFFAOYSA-N
XLogP3.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane?
The IUPAC name of 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane (CID 66224206) is 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane.
What is the SMILES notation for 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane?
The canonical SMILES for 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane is CC1CCNC(c2ccc(OC(F)(F)F)cc2)S1.
What is the InChIKey of 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane?
The InChIKey is GMDBAPJRBFRQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-8-6-7-16-11(18-8)9-2-4-10(5-3-9)17-12(13,14)15/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane?
6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane has a molecular weight of 277.31 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazinane is sourced from PubChem (CID 66224206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).