2-(2,2,2-trifluoroethylidene)-1,3-dithiane

C6H7F3S2 — CID 10932472

IUPAC2-(2,2,2-trifluoroethylidene)-1,3-dithiane
SMILESFC(F)(F)C=C1SCCCS1
InChIInChI=1S/C6H7F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h4H,1-3H2
InChIKeyFNORQWNVAYJADI-UHFFFAOYSA-N
MW200.25 g/mol
LogP3.26
Rot. Bonds

About 2-(2,2,2-trifluoroethylidene)-1,3-dithiane

2-(2,2,2-trifluoroethylidene)-1,3-dithiane (PubChem CID 10932472) has the molecular formula C6H7F3S2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylidene)-1,3-dithiane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylidene)-1,3-dithiane
PubChem CID10932472
Molecular FormulaC6H7F3S2
Molecular Weight200.25 g/mol
Exact Mass199.99
IUPAC Name2-(2,2,2-trifluoroethylidene)-1,3-dithiane
SMILESFC(F)(F)C=C1SCCCS1
InChIInChI=1S/C6H7F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h4H,1-3H2
InChIKeyFNORQWNVAYJADI-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethylidene)-1,3-dithiane 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-Tetrafluoroethylidene-[1,3]dithiane
CID 10262826
(2E)-2-(2,2,2-trifluoroethylidene)-1,3-dithiane 1-oxide
CID 42643304
2,2-Difluoro-1,3-dithiane
CID 12070546
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
2-Ethylidene-4,5,6-trifluoro-1,3-dithiane
CID 88379230

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylidene)-1,3-dithiane?
The IUPAC name of 2-(2,2,2-trifluoroethylidene)-1,3-dithiane (CID 10932472) is 2-(2,2,2-trifluoroethylidene)-1,3-dithiane.
What is the SMILES notation for 2-(2,2,2-trifluoroethylidene)-1,3-dithiane?
The canonical SMILES for 2-(2,2,2-trifluoroethylidene)-1,3-dithiane is FC(F)(F)C=C1SCCCS1.
What is the InChIKey of 2-(2,2,2-trifluoroethylidene)-1,3-dithiane?
The InChIKey is FNORQWNVAYJADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h4H,1-3H2.
What are the key properties of 2-(2,2,2-trifluoroethylidene)-1,3-dithiane?
2-(2,2,2-trifluoroethylidene)-1,3-dithiane has a molecular weight of 200.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylidene)-1,3-dithiane is sourced from PubChem (CID 10932472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).