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

C14H13F2NS — CID 11536290

IUPAC2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1ccc(F)c(-c2cc3c(s2)CCNCC3)c1
InChIInChI=1S/C14H13F2NS/c15-10-1-2-12(16)11(8-10)14-7-9-3-5-17-6-4-13(9)18-14/h1-2,7-8,17H,3-6H2
InChIKeyRYLORUZTUAOVNU-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.38
Rot. Bonds1

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

2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 11536290) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID11536290
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1ccc(F)c(-c2cc3c(s2)CCNCC3)c1
InChIInChI=1S/C14H13F2NS/c15-10-1-2-12(16)11(8-10)14-7-9-3-5-17-6-4-13(9)18-14/h1-2,7-8,17H,3-6H2
InChIKeyRYLORUZTUAOVNU-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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Related Compounds

2-(2-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817785
N-[2-(4-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817795
N-(3-phenylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156010697
N-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156020669
N-(4-phenylbutyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-6-amine
CID 156020892
2-(4-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 1817787
N-[2-(2-fluorophenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]amine
CID 1817793
4H,5H,6H,7H,8H-thieno[2,3-d]azepine
CID 11513777
3-(2,2,2-Trifluoroethyl)-1,2,4,5-tetrahydro-[1]benzothiolo[2,3-d]azepine
CID 168943692
{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43214096
{[5-(3-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
CID 43287182
4-[(4-Fluorophenyl)(4-methylthien-2-yl)methylene]piperidine
CID 11077042

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 11536290) is 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is Fc1ccc(F)c(-c2cc3c(s2)CCNCC3)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is RYLORUZTUAOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-10-1-2-12(16)11(8-10)14-7-9-3-5-17-6-4-13(9)18-14/h1-2,7-8,17H,3-6H2.
What are the key properties of 2-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
2-(2,5-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-(2,5-difluorophenyl)-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 11536290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).