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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Related Compounds

2-(4-bromophenyl)-6-methyl-1,3-thiazinane
CID 66224229
5-methyl-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidine
CID 107105145
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211
3-[4-(trifluoromethoxy)phenyl]-1,4-thiazepane
CID 66218272
2-(4-methoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 57094378
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
2-(2-methoxyphenyl)-6-methyl-1,3-thiazinane
CID 66224677
(2R,4S)-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7018530
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 154531292
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
6-methyl-3-[4-(trifluoromethoxy)phenyl]-1,4-thiazepane 1-oxide
CID 66225503
2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 164550227

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).