2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

C12H14F3NO2S — CID 60705960

IUPAC2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCC1c2ccsc2CCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-2-9-8-4-6-19-10(8)3-5-16(9)11(17)18-7-12(13,14)15/h4,6,9H,2-3,5,7H2,1H3
InChIKeySYLKBRGHCJPZAG-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.76
Rot. Bonds2

About 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate

2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (PubChem CID 60705960) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
PubChem CID60705960
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
SMILESCCC1c2ccsc2CCN1C(=O)OCC(F)(F)F
InChIInChI=1S/C12H14F3NO2S/c1-2-9-8-4-6-19-10(8)3-5-16(9)11(17)18-7-12(13,14)15/h4,6,9H,2-3,5,7H2,1H3
InChIKeySYLKBRGHCJPZAG-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate with MolForge

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Related Compounds

tert-butyl 4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 18377286
5-Acetyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 21472069
tert-butyl 4-(aminomethyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine-5-carboxylate
CID 146049782
tert-butyl 2-ethynyl-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxylate
CID 146155871
Ethyl4-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxylate
CID 6456281
1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)propan-1-one
CID 60708784
6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbaldehyde
CID 64992263
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 45837286
tert-butyl 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)piperidine-1-carboxylate
CID 72149212
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,2-trifluoroethanone
CID 62490772
5-methyl-4-(trifluoromethyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 70254878
1,1-Dimethylethyl 2-fluoro-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxylate
CID 73554390

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The IUPAC name of 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate (CID 60705960) is 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate.
What is the SMILES notation for 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The canonical SMILES for 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is CCC1c2ccsc2CCN1C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
The InChIKey is SYLKBRGHCJPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-2-9-8-4-6-19-10(8)3-5-16(9)11(17)18-7-12(13,14)15/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate?
2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate has a molecular weight of 293.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate is sourced from PubChem (CID 60705960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).