7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine

C14H10F2S — CID 134484231

IUPAC7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1cc(F)c2c(c1)Cc1ccccc1SC2
InChIInChI=1S/C14H10F2S/c15-11-6-10-5-9-3-1-2-4-14(9)17-8-12(10)13(16)7-11/h1-4,6-7H,5,8H2
InChIKeyOGWVXZXYKAVIDC-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.16
Rot. Bonds

About 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine

7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine (PubChem CID 134484231) has the molecular formula C14H10F2S and a molecular weight of 248.30 g/mol. Its IUPAC name is 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine.

Molecular Properties

Compound Name7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
PubChem CID134484231
Molecular FormulaC14H10F2S
Molecular Weight248.30 g/mol
Exact Mass248.05
IUPAC Name7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine
SMILESFc1cc(F)c2c(c1)Cc1ccccc1SC2
InChIInChI=1S/C14H10F2S/c15-11-6-10-5-9-3-1-2-4-14(9)17-8-12(10)13(16)7-11/h1-4,6-7H,5,8H2
InChIKeyOGWVXZXYKAVIDC-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 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The IUPAC name of 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine (CID 134484231) is 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine.
What is the SMILES notation for 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The canonical SMILES for 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine is Fc1cc(F)c2c(c1)Cc1ccccc1SC2.
What is the InChIKey of 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
The InChIKey is OGWVXZXYKAVIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2S/c15-11-6-10-5-9-3-1-2-4-14(9)17-8-12(10)13(16)7-11/h1-4,6-7H,5,8H2.
What are the key properties of 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine?
7,9-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 7,9-difluoro-6,11-dihydrobenzo[c][1]benzothiepine is sourced from PubChem (CID 134484231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).