2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone

C15H12F2OS2 — CID 81261384

IUPAC2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H12F2OS2/c16-11-2-1-9(12(17)7-11)5-13(18)15-6-10-8-19-4-3-14(10)20-15/h1-2,6-7H,3-5,8H2
InChIKeyWJWNNESUKBGHDT-UHFFFAOYSA-N
MW310.39 g/mol
LogP4.24
Rot. Bonds3

About 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone

2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (PubChem CID 81261384) has the molecular formula C15H12F2OS2 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
PubChem CID81261384
Molecular FormulaC15H12F2OS2
Molecular Weight310.39 g/mol
Exact Mass310.03
IUPAC Name2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H12F2OS2/c16-11-2-1-9(12(17)7-11)5-13(18)15-6-10-8-19-4-3-14(10)20-15/h1-2,6-7H,3-5,8H2
InChIKeyWJWNNESUKBGHDT-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
CID 81261552
2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 102865691
2-(2,3-dihydro-1H-inden-5-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 114974455
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-phenylpropan-1-one
CID 114962869
2-(1,3-benzoxazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81266740
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
3-cyclopropyl-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)propan-1-one
CID 114978270
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376758

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (CID 81261384) is 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is O=C(Cc1ccc(F)cc1F)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The InChIKey is WJWNNESUKBGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2OS2/c16-11-2-1-9(12(17)7-11)5-13(18)15-6-10-8-19-4-3-14(10)20-15/h1-2,6-7H,3-5,8H2.
What are the key properties of 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone has a molecular weight of 310.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is sourced from PubChem (CID 81261384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).