2-phenyl-2-(trifluoromethyl)-1,3-dithiane

C11H11F3S2 — CID 11391427

IUPAC2-phenyl-2-(trifluoromethyl)-1,3-dithiane
SMILESFC(F)(F)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C11H11F3S2/c12-11(13,14)10(15-7-4-8-16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyZFEJCZSJMQWTIB-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.27
Rot. Bonds1

About 2-phenyl-2-(trifluoromethyl)-1,3-dithiane

2-phenyl-2-(trifluoromethyl)-1,3-dithiane (PubChem CID 11391427) has the molecular formula C11H11F3S2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-phenyl-2-(trifluoromethyl)-1,3-dithiane.

Molecular Properties

Compound Name2-phenyl-2-(trifluoromethyl)-1,3-dithiane
PubChem CID11391427
Molecular FormulaC11H11F3S2
Molecular Weight264.34 g/mol
Exact Mass264.03
IUPAC Name2-phenyl-2-(trifluoromethyl)-1,3-dithiane
SMILESFC(F)(F)C1(c2ccccc2)SCCCS1
InChIInChI=1S/C11H11F3S2/c12-11(13,14)10(15-7-4-8-16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyZFEJCZSJMQWTIB-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(trifluoromethyl)-1,3-dithiane?
The IUPAC name of 2-phenyl-2-(trifluoromethyl)-1,3-dithiane (CID 11391427) is 2-phenyl-2-(trifluoromethyl)-1,3-dithiane.
What is the SMILES notation for 2-phenyl-2-(trifluoromethyl)-1,3-dithiane?
The canonical SMILES for 2-phenyl-2-(trifluoromethyl)-1,3-dithiane is FC(F)(F)C1(c2ccccc2)SCCCS1.
What is the InChIKey of 2-phenyl-2-(trifluoromethyl)-1,3-dithiane?
The InChIKey is ZFEJCZSJMQWTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3S2/c12-11(13,14)10(15-7-4-8-16-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2.
What are the key properties of 2-phenyl-2-(trifluoromethyl)-1,3-dithiane?
2-phenyl-2-(trifluoromethyl)-1,3-dithiane has a molecular weight of 264.34 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(trifluoromethyl)-1,3-dithiane is sourced from PubChem (CID 11391427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).