(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

C₁₄H₁₀F₂OS₂ — CID 114972937

About (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone

(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (PubChem CID 114972937) has the molecular formula C₁₄H₁₀F₂OS₂ and a molecular weight of 296.36 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.

Molecular Properties

• Compound Name: (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
• PubChem CID: 114972937
• Molecular Formula: C₁₄H₁₀F₂OS₂
• Molecular Weight: 296.36 g/mol
• Exact Mass: 296.01
• IUPAC Name: (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
• SMILES: O=C(c1cc2c(s1)CCSC2)c1c(F)cccc1F
• InChI: InChI=1S/C14H10F2OS2/c15-9-2-1-3-10(16)13(9)14(17)12-6-8-7-18-5-4-11(8)19-12/h1-3,6H,4-5,7H2
• InChIKey: COGSOQNZMFESSI-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 17.07 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.36
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?

The IUPAC name of (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone (CID 114972937) is (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone.

What is the SMILES notation for (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?

The canonical SMILES for (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is O=C(c1cc2c(s1)CCSC2)c1c(F)cccc1F.

What is the InChIKey of (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?

The InChIKey is COGSOQNZMFESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS2/c15-9-2-1-3-10(16)13(9)14(17)12-6-8-7-18-5-4-11(8)19-12/h1-3,6H,4-5,7H2.

What are the key properties of (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone?

(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone has a molecular weight of 296.36 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone is sourced from PubChem (CID 114972937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114972937 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.