2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

C14H13F2NS — CID 11543519

IUPAC2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1cccc(F)c1-c1cc2c(s1)CCNCC2
InChIInChI=1S/C14H13F2NS/c15-10-2-1-3-11(16)14(10)13-8-9-4-6-17-7-5-12(9)18-13/h1-3,8,17H,4-7H2
InChIKeyKWJIBQDEGIGHMG-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.38
Rot. Bonds1

About 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 11543519) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID11543519
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1cccc(F)c1-c1cc2c(s1)CCNCC2
InChIInChI=1S/C14H13F2NS/c15-10-2-1-3-11(16)14(10)13-8-9-4-6-17-7-5-12(9)18-13/h1-3,8,17H,4-7H2
InChIKeyKWJIBQDEGIGHMG-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 11543519) is 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is Fc1cccc(F)c1-c1cc2c(s1)CCNCC2.
What is the InChIKey of 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is KWJIBQDEGIGHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-10-2-1-3-11(16)14(10)13-8-9-4-6-17-7-5-12(9)18-13/h1-3,8,17H,4-7H2.
What are the key properties of 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine has a molecular weight of 265.33 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 11543519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).