7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine

C14H10F2S — CID 134318480

IUPAC7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1ccc2c(c1F)CSc1ccccc1C2
InChIInChI=1S/C14H10F2S/c15-12-6-5-9-7-10-3-1-2-4-13(10)17-8-11(9)14(12)16/h1-6H,7-8H2
InChIKeyGPKOGQHMOGONCL-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.16
Rot. Bonds

About 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine

7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine (PubChem CID 134318480) has the molecular formula C14H10F2S and a molecular weight of 248.30 g/mol. Its IUPAC name is 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine.

Molecular Properties

Compound Name7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
PubChem CID134318480
Molecular FormulaC14H10F2S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1ccc2c(c1F)CSc1ccccc1C2
InChIInChI=1S/C14H10F2S/c15-12-6-5-9-7-10-3-1-2-4-13(10)17-8-11(9)14(12)16/h1-6H,7-8H2
InChIKeyGPKOGQHMOGONCL-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The IUPAC name of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine (CID 134318480) is 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine.
What is the SMILES notation for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The canonical SMILES for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine is Fc1ccc2c(c1F)CSc1ccccc1C2.
What is the InChIKey of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The InChIKey is GPKOGQHMOGONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2S/c15-12-6-5-9-7-10-3-1-2-4-13(10)17-8-11(9)14(12)16/h1-6H,7-8H2.
What are the key properties of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine has a molecular weight of 248.30 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepine is sourced from PubChem (CID 134318480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).