2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane

C11H12F3NS — CID 66218013

IUPAC2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)(F)c1cccc(C2NCCCS2)c1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2
InChIKeyLOJBJCPYGNYOQA-UHFFFAOYSA-N
MW247.28 g/mol
LogP3.43
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane

2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane (PubChem CID 66218013) has the molecular formula C11H12F3NS and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
PubChem CID66218013
Molecular FormulaC11H12F3NS
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane
SMILESFC(F)(F)c1cccc(C2NCCCS2)c1
InChIInChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2
InChIKeyLOJBJCPYGNYOQA-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 129367454
2-(3-phenoxyphenyl)-1,3-thiazinane
CID 66219243
(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 28775424
2-naphthalen-2-yl-1,3-thiazinane
CID 66218515
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
CID 66219496
(2R)-2-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171194422
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
2-[3-(trifluoromethyl)phenyl]piperidin-4-amine
CID 117000351
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
2-[4-(difluoromethyl)phenyl]-1,3-thiazinane
CID 115525268
2-chloro-4-(1,3-thiazinan-2-yl)phenol
CID 66218518

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane (CID 66218013) is 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane is FC(F)(F)c1cccc(C2NCCCS2)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
The InChIKey is LOJBJCPYGNYOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NS/c12-11(13,14)9-4-1-3-8(7-9)10-15-5-2-6-16-10/h1,3-4,7,10,15H,2,5-6H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane?
2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane has a molecular weight of 247.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-1,3-thiazinane is sourced from PubChem (CID 66218013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).