4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate

C10H10F3NO2S — CID 122444725

IUPAC4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1cc2c(s1)CCNC2)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(15)16-5-7-3-6-4-14-2-1-8(6)17-7/h3,14H,1-2,4-5H2
InChIKeyZGABFUPQKKLVHA-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.00
Rot. Bonds2

About 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate

4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate (PubChem CID 122444725) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate
PubChem CID122444725
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate
SMILESO=C(OCc1cc2c(s1)CCNC2)C(F)(F)F
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(15)16-5-7-3-6-4-14-2-1-8(6)17-7/h3,14H,1-2,4-5H2
InChIKeyZGABFUPQKKLVHA-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate?
The IUPAC name of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate (CID 122444725) is 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate is O=C(OCc1cc2c(s1)CCNC2)C(F)(F)F.
What is the InChIKey of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate?
The InChIKey is ZGABFUPQKKLVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9(15)16-5-7-3-6-4-14-2-1-8(6)17-7/h3,14H,1-2,4-5H2.
What are the key properties of 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate?
4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate has a molecular weight of 265.26 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-ylmethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 122444725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).