2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

C9H11F2NS — CID 70257433

IUPAC2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2c(sc(F)c2F)CCN1C
InChIInChI=1S/C9H11F2NS/c1-5-7-6(3-4-12(5)2)13-9(11)8(7)10/h5H,3-4H2,1-2H3
InChIKeyVMODQSVAJUZVBE-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.58
Rot. Bonds

About 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine

2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (PubChem CID 70257433) has the molecular formula C9H11F2NS and a molecular weight of 203.26 g/mol. Its IUPAC name is 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.

Molecular Properties

Compound Name2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
PubChem CID70257433
Molecular FormulaC9H11F2NS
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
SMILESCC1c2c(sc(F)c2F)CCN1C
InChIInChI=1S/C9H11F2NS/c1-5-7-6(3-4-12(5)2)13-9(11)8(7)10/h5H,3-4H2,1-2H3
InChIKeyVMODQSVAJUZVBE-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The IUPAC name of 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine (CID 70257433) is 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine.
What is the SMILES notation for 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The canonical SMILES for 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is CC1c2c(sc(F)c2F)CCN1C.
What is the InChIKey of 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
The InChIKey is VMODQSVAJUZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NS/c1-5-7-6(3-4-12(5)2)13-9(11)8(7)10/h5H,3-4H2,1-2H3.
What are the key properties of 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine?
2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine has a molecular weight of 203.26 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4,5-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine is sourced from PubChem (CID 70257433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).