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

C14H14FNS — CID 11550536

IUPAC2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1ccc(-c2cc3c(s2)CCNCC3)cc1
InChIInChI=1S/C14H14FNS/c15-12-3-1-10(2-4-12)14-9-11-5-7-16-8-6-13(11)17-14/h1-4,9,16H,5-8H2
InChIKeyAGVKMXALUDTWSP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.24
Rot. Bonds1

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

2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 11550536) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID11550536
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1ccc(-c2cc3c(s2)CCNCC3)cc1
InChIInChI=1S/C14H14FNS/c15-12-3-1-10(2-4-12)14-9-11-5-7-16-8-6-13(11)17-14/h1-4,9,16H,5-8H2
InChIKeyAGVKMXALUDTWSP-UHFFFAOYSA-N
XLogP3.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 11550536) is 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is Fc1ccc(-c2cc3c(s2)CCNCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is AGVKMXALUDTWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-12-3-1-10(2-4-12)14-9-11-5-7-16-8-6-13(11)17-14/h1-4,9,16H,5-8H2.
What are the key properties of 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine has a molecular weight of 247.34 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 11550536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).