2-[4-(trifluoromethyl)phenyl]thiolane

C11H11F3S — CID 134969348

IUPAC2-[4-(trifluoromethyl)phenyl]thiolane
SMILESFC(F)(F)c1ccc(C2CCCS2)cc1
InChIInChI=1S/C11H11F3S/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyIUGYJGXKVOORMI-UHFFFAOYSA-N
MW232.27 g/mol
LogP4.27
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]thiolane

2-[4-(trifluoromethyl)phenyl]thiolane (PubChem CID 134969348) has the molecular formula C11H11F3S and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]thiolane.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]thiolane
PubChem CID134969348
Molecular FormulaC11H11F3S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name2-[4-(trifluoromethyl)phenyl]thiolane
SMILESFC(F)(F)c1ccc(C2CCCS2)cc1
InChIInChI=1S/C11H11F3S/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2
InChIKeyIUGYJGXKVOORMI-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(trifluoromethyl)phenyl]thiolane 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

2-Methyl-2-phenyl-1,3-dithiolane
CID 21992
Allyl(benzyl)sulfide
CID 232030
2-Phenyl-1,3-dithiolane
CID 21830
2,2-Diphenyl-1,3-dithiolane
CID 22771
1,3-Dithiolane, 2-benzyl-2-methyl-
CID 29969
2-(4'-Methylphenyl)-1,3-dithiolane
CID 31708
Benzyl 2,2,2-trifluoroethyl sulfide
CID 2737790
(4-(Trifluoromethyl)phenyl)methanethiol
CID 2761422
(((Difluoromethyl)sulfanyl)methyl)benzene
CID 11557371
Benzyl trifluoromethyl sulfide
CID 3782775
1,3-Dithiolane, 4-methyl-2-phenyl-
CID 21829
1,3-Dithiolane, 2-ethyl-2-phenyl-
CID 22334

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]thiolane?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]thiolane (CID 134969348) is 2-[4-(trifluoromethyl)phenyl]thiolane.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]thiolane?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]thiolane is FC(F)(F)c1ccc(C2CCCS2)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]thiolane?
The InChIKey is IUGYJGXKVOORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3S/c12-11(13,14)9-5-3-8(4-6-9)10-2-1-7-15-10/h3-6,10H,1-2,7H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]thiolane?
2-[4-(trifluoromethyl)phenyl]thiolane has a molecular weight of 232.27 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]thiolane is sourced from PubChem (CID 134969348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).