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

C6H9F3S2 — CID 10512309

IUPAC2-(2,2,2-trifluoroethyl)-1,3-dithiane
SMILESFC(F)(F)CC1SCCCS1
InChIInChI=1S/C6H9F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h5H,1-4H2
InChIKeyZNYQICCVRDJNMC-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.13
Rot. Bonds1

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

2-(2,2,2-trifluoroethyl)-1,3-dithiane (PubChem CID 10512309) has the molecular formula C6H9F3S2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-dithiane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-dithiane
PubChem CID10512309
Molecular FormulaC6H9F3S2
Molecular Weight202.27 g/mol
Exact Mass202.01
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-dithiane
SMILESFC(F)(F)CC1SCCCS1
InChIInChI=1S/C6H9F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h5H,1-4H2
InChIKeyZNYQICCVRDJNMC-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-Bis-ethylsulfanyl-1,1,1,2,2-pentafluoro-propane
CID 10400060
2-Pentafluoroethyl-[1,3]dithiane
CID 10014420
2-Heptafluoropropyl-[1,3]dithiane
CID 10356744
2-(Trifluoromethyl)-1,3-dithiane
CID 14319431
2,2-Difluoro-1,3-dithiane
CID 12070546
1-(Trifluoromethyl)thian-1-ium
CID 20802244
2,2-Difluoro-5-methyl-1,3-dithiane
CID 59876013
2-(1,2,2-Trifluoroethylidene)-1,3-dithiane
CID 88379229
2-(Trifluoromethyl)thiane
CID 123446313
2,2,4,4-Tetrafluoro-1,3-dithiane
CID 151949177
4,4-Difluorothiane
CID 176888502
2-(1,1,1-Trifluoropropan-2-yl)-1,3-dithiane
CID 14338620

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dithiane?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dithiane (CID 10512309) is 2-(2,2,2-trifluoroethyl)-1,3-dithiane.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-dithiane?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-dithiane is FC(F)(F)CC1SCCCS1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-dithiane?
The InChIKey is ZNYQICCVRDJNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3S2/c7-6(8,9)4-5-10-2-1-3-11-5/h5H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-dithiane?
2-(2,2,2-trifluoroethyl)-1,3-dithiane has a molecular weight of 202.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-dithiane is sourced from PubChem (CID 10512309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).