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

C15H12ClFOS2 — CID 102865691

IUPAC2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H12ClFOS2/c16-11-3-1-2-9(15(11)17)6-12(18)14-7-10-8-19-5-4-13(10)20-14/h1-3,7H,4-6,8H2
InChIKeyZYXUJXJVRKFQNX-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.76
Rot. Bonds3

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

2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (PubChem CID 102865691) has the molecular formula C15H12ClFOS2 and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
PubChem CID102865691
Molecular FormulaC15H12ClFOS2
Molecular Weight326.85 g/mol
Exact Mass326.00
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H12ClFOS2/c16-11-3-1-2-9(15(11)17)6-12(18)14-7-10-8-19-5-4-13(10)20-14/h1-3,7H,4-6,8H2
InChIKeyZYXUJXJVRKFQNX-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone with MolForge

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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-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81261384
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
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)-3-phenylpropan-1-one
CID 114962869
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonyl chloride
CID 81260755
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-methoxyethanone
CID 115783386
(5-bromo-4-chlorothiophen-2-yl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81261181
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
2-(3-chloro-2-fluorophenyl)-1-(cyclopenten-1-yl)ethanone
CID 103448194
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-iodophenyl)ethanone
CID 114029999
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(4-ethylphenyl)methanone
CID 81268783

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone (CID 102865691) is 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is O=C(Cc1cccc(Cl)c1F)c1cc2c(s1)CCSC2.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
The InChIKey is ZYXUJXJVRKFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFOS2/c16-11-3-1-2-9(15(11)17)6-12(18)14-7-10-8-19-5-4-13(10)20-14/h1-3,7H,4-6,8H2.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone?
2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone has a molecular weight of 326.85 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone is sourced from PubChem (CID 102865691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).