5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine

C6H4F6S2 — CID 101408963

IUPAC5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)(F)C1=C(C(F)(F)F)SCCS1
InChIInChI=1S/C6H4F6S2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H2
InChIKeyODCJCQLQWSJKJB-UHFFFAOYSA-N
MW254.22 g/mol
LogP3.80
Rot. Bonds

About 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine

5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine (PubChem CID 101408963) has the molecular formula C6H4F6S2 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine
PubChem CID101408963
Molecular FormulaC6H4F6S2
Molecular Weight254.22 g/mol
Exact Mass253.97
IUPAC Name5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine
SMILESFC(F)(F)C1=C(C(F)(F)F)SCCS1
InChIInChI=1S/C6H4F6S2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H2
InChIKeyODCJCQLQWSJKJB-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The IUPAC name of 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine (CID 101408963) is 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine is FC(F)(F)C1=C(C(F)(F)F)SCCS1.
What is the InChIKey of 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
The InChIKey is ODCJCQLQWSJKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6S2/c7-5(8,9)3-4(6(10,11)12)14-2-1-13-3/h1-2H2.
What are the key properties of 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine?
5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine has a molecular weight of 254.22 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 101408963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).