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

C15H13FOS2 — CID 81261552

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13FOS2/c16-12-4-2-1-3-10(12)7-13(17)15-8-11-9-18-6-5-14(11)19-15/h1-4,8H,5-7,9H2
InChIKeyWDKDAZRRQNZUCS-UHFFFAOYSA-N
MW292.40 g/mol
LogP4.10
Rot. Bonds3

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

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 81261552) has the molecular formula C15H13FOS2 and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
PubChem CID81261552
Molecular FormulaC15H13FOS2
Molecular Weight292.40 g/mol
Exact Mass292.04
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone
SMILESO=C(Cc1ccccc1F)c1cc2c(s1)CCSC2
InChIInChI=1S/C15H13FOS2/c16-12-4-2-1-3-10(12)7-13(17)15-8-11-9-18-6-5-14(11)19-15/h1-4,8H,5-7,9H2
InChIKeyWDKDAZRRQNZUCS-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 81261384
2-(3-chloro-2-fluorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 102865691
(2,6-difluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 114972937
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
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
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxylate
CID 71849545
N-[(5-bromo-2-fluorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80712161
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

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone (CID 81261552) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone is O=C(Cc1ccccc1F)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is WDKDAZRRQNZUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FOS2/c16-12-4-2-1-3-10(12)7-13(17)15-8-11-9-18-6-5-14(11)19-15/h1-4,8H,5-7,9H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 292.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 81261552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).