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

C15H15ClFNS — CID 11702083

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1cccc(Cl)c1Cc1cc2c(s1)CCNCC2
InChIInChI=1S/C15H15ClFNS/c16-13-2-1-3-14(17)12(13)9-11-8-10-4-6-18-7-5-15(10)19-11/h1-3,8,18H,4-7,9H2
InChIKeyFPVWTXDNCGQTRX-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.82
Rot. Bonds2

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

2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (PubChem CID 11702083) has the molecular formula C15H15ClFNS and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
PubChem CID11702083
Molecular FormulaC15H15ClFNS
Molecular Weight295.81 g/mol
Exact Mass295.06
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
SMILESFc1cccc(Cl)c1Cc1cc2c(s1)CCNCC2
InChIInChI=1S/C15H15ClFNS/c16-13-2-1-3-14(17)12(13)9-11-8-10-4-6-18-7-5-15(10)19-11/h1-3,8,18H,4-7,9H2
InChIKeyFPVWTXDNCGQTRX-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine (CID 11702083) is 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is Fc1cccc(Cl)c1Cc1cc2c(s1)CCNCC2.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
The InChIKey is FPVWTXDNCGQTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNS/c16-13-2-1-3-14(17)12(13)9-11-8-10-4-6-18-7-5-15(10)19-11/h1-3,8,18H,4-7,9H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine?
2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine has a molecular weight of 295.81 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine is sourced from PubChem (CID 11702083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).