2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine

C12H13F4NS — CID 115351231

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H13F4NS/c1-11(2)6-18-10(17-11)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,10,17H,6H2,1-2H3
InChIKeyVRWYEGVJKMLDQN-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.96
Rot. Bonds1

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine

2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine (PubChem CID 115351231) has the molecular formula C12H13F4NS and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine
PubChem CID115351231
Molecular FormulaC12H13F4NS
Molecular Weight279.30 g/mol
Exact Mass279.07
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine
SMILESCC1(C)CSC(c2cc(F)cc(C(F)(F)F)c2)N1
InChIInChI=1S/C12H13F4NS/c1-11(2)6-18-10(17-11)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,10,17H,6H2,1-2H3
InChIKeyVRWYEGVJKMLDQN-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine (CID 115351231) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine is CC1(C)CSC(c2cc(F)cc(C(F)(F)F)c2)N1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is VRWYEGVJKMLDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NS/c1-11(2)6-18-10(17-11)7-3-8(12(14,15)16)5-9(13)4-7/h3-5,10,17H,6H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 279.30 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 115351231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).