7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one

C14H8F2OS — CID 132820276

IUPAC7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one
SMILESO=C1c2ccccc2SCc2c1ccc(F)c2F
InChIInChI=1S/C14H8F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6H,7H2
InChIKeyNDIAEKBJODOUBP-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.80
Rot. Bonds

About 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one

7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one (PubChem CID 132820276) has the molecular formula C14H8F2OS and a molecular weight of 262.28 g/mol. Its IUPAC name is 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one.

Molecular Properties

Compound Name7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one
PubChem CID132820276
Molecular FormulaC14H8F2OS
Molecular Weight262.28 g/mol
Exact Mass262.03
IUPAC Name7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one
SMILESO=C1c2ccccc2SCc2c1ccc(F)c2F
InChIInChI=1S/C14H8F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6H,7H2
InChIKeyNDIAEKBJODOUBP-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one?
The IUPAC name of 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one (CID 132820276) is 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one.
What is the SMILES notation for 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one?
The canonical SMILES for 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one is O=C1c2ccccc2SCc2c1ccc(F)c2F.
What is the InChIKey of 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one?
The InChIKey is NDIAEKBJODOUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6H,7H2.
What are the key properties of 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one?
7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one has a molecular weight of 262.28 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6H-benzo[c][1]benzothiepin-11-one is sourced from PubChem (CID 132820276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).