8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine

C14H14FNOS — CID 67959126

IUPAC8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCC1CNCc2scc(-c3ccccc3F)c2O1
InChIInChI=1S/C14H14FNOS/c1-9-6-16-7-13-14(17-9)11(8-18-13)10-4-2-3-5-12(10)15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyJFIMIUTUWZQSGV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.42
Rot. Bonds1

About 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine

8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (PubChem CID 67959126) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.

Molecular Properties

Compound Name8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
PubChem CID67959126
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine
SMILESCC1CNCc2scc(-c3ccccc3F)c2O1
InChIInChI=1S/C14H14FNOS/c1-9-6-16-7-13-14(17-9)11(8-18-13)10-4-2-3-5-12(10)15/h2-5,8-9,16H,6-7H2,1H3
InChIKeyJFIMIUTUWZQSGV-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The IUPAC name of 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine (CID 67959126) is 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine.
What is the SMILES notation for 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The canonical SMILES for 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is CC1CNCc2scc(-c3ccccc3F)c2O1.
What is the InChIKey of 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
The InChIKey is JFIMIUTUWZQSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-9-6-16-7-13-14(17-9)11(8-18-13)10-4-2-3-5-12(10)15/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine?
8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine has a molecular weight of 263.34 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-2-methyl-2,3,4,5-tetrahydrothieno[2,3-f][1,4]oxazepine is sourced from PubChem (CID 67959126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).