1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone

C9H8F3NOS — CID 62490772

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2sccc2C1)C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8(14)13-3-1-7-6(5-13)2-4-15-7/h2,4H,1,3,5H2
InChIKeyPVQFDSZYHOXFQZ-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.20
Rot. Bonds

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone (PubChem CID 62490772) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone
PubChem CID62490772
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CCc2sccc2C1)C(F)(F)F
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)8(14)13-3-1-7-6(5-13)2-4-15-7/h2,4H,1,3,5H2
InChIKeyPVQFDSZYHOXFQZ-UHFFFAOYSA-N
XLogP2.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone with MolForge

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Related Compounds

2-methyl-1-[4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 57325764
1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 122392531
4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxamide
CID 16784441
tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl chloride
CID 79887429
2-(2,6-Difluorophenyl)-3-(2-thienylmethyl)thiazolidin-4-one
CID 25058680
2-(2,6-Difluorophenyl)-3-[(5-methyl-2-thienyl)methyl]thiazolidin-4-one
CID 25058769
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3,3-dimethylbutan-1-one
CID 40118713
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(2-fluorophenyl)methylsulfinyl]ethanone
CID 47022797
4-phenyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 49717051
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-[(4-fluorophenyl)methylsulfinyl]ethanone
CID 51077443
[4-(2,2-difluoroethyl)piperazin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 71926352

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone (CID 62490772) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone is O=C(N1CCc2sccc2C1)C(F)(F)F.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone?
The InChIKey is PVQFDSZYHOXFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)8(14)13-3-1-7-6(5-13)2-4-15-7/h2,4H,1,3,5H2.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone has a molecular weight of 235.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 62490772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).