10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one

C15H11FOS — CID 130410689

IUPAC10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one
SMILESCc1ccc2c(c1)SCc1cccc(F)c1C2=O
InChIInChI=1S/C15H11FOS/c1-9-5-6-11-13(7-9)18-8-10-3-2-4-12(16)14(10)15(11)17/h2-7H,8H2,1H3
InChIKeyHGMGCSBQJWRADW-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.97
Rot. Bonds

About 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one

10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one (PubChem CID 130410689) has the molecular formula C15H11FOS and a molecular weight of 258.32 g/mol. Its IUPAC name is 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one.

Molecular Properties

Compound Name10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one
PubChem CID130410689
Molecular FormulaC15H11FOS
Molecular Weight258.32 g/mol
Exact Mass258.05
IUPAC Name10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one
SMILESCc1ccc2c(c1)SCc1cccc(F)c1C2=O
InChIInChI=1S/C15H11FOS/c1-9-5-6-11-13(7-9)18-8-10-3-2-4-12(16)14(10)15(11)17/h2-7H,8H2,1H3
InChIKeyHGMGCSBQJWRADW-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one?
The IUPAC name of 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one (CID 130410689) is 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one.
What is the SMILES notation for 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one?
The canonical SMILES for 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one is Cc1ccc2c(c1)SCc1cccc(F)c1C2=O.
What is the InChIKey of 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one?
The InChIKey is HGMGCSBQJWRADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FOS/c1-9-5-6-11-13(7-9)18-8-10-3-2-4-12(16)14(10)15(11)17/h2-7H,8H2,1H3.
What are the key properties of 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one?
10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one has a molecular weight of 258.32 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3-methyl-6H-benzo[c][1]benzothiepin-11-one is sourced from PubChem (CID 130410689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).