5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine

C9H7F3S2 — CID 175723777

IUPAC5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine
SMILESFC(F)(F)c1cccc2c1SCCS2
InChIInChI=1S/C9H7F3S2/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7/h1-3H,4-5H2
InChIKeyHBXTZAOFBIJNAM-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.90
Rot. Bonds

About 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine

5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine (PubChem CID 175723777) has the molecular formula C9H7F3S2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine
PubChem CID175723777
Molecular FormulaC9H7F3S2
Molecular Weight236.28 g/mol
Exact Mass235.99
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine
SMILESFC(F)(F)c1cccc2c1SCCS2
InChIInChI=1S/C9H7F3S2/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7/h1-3H,4-5H2
InChIKeyHBXTZAOFBIJNAM-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine (CID 175723777) is 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine is FC(F)(F)c1cccc2c1SCCS2.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine?
The InChIKey is HBXTZAOFBIJNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3S2/c10-9(11,12)6-2-1-3-7-8(6)14-5-4-13-7/h1-3H,4-5H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine?
5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine has a molecular weight of 236.28 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1,4-benzodithiine is sourced from PubChem (CID 175723777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).