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

C14H10F2OS — CID 132820275

IUPAC7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol
SMILESOC1c2ccccc2SCc2c1ccc(F)c2F
InChIInChI=1S/C14H10F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6,14,17H,7H2
InChIKeyOBEXFUFBCNVOKB-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.65
Rot. Bonds

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

7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol (PubChem CID 132820275) has the molecular formula C14H10F2OS and a molecular weight of 264.30 g/mol. Its IUPAC name is 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol.

Molecular Properties

Compound Name7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol
PubChem CID132820275
Molecular FormulaC14H10F2OS
Molecular Weight264.30 g/mol
Exact Mass264.04
IUPAC Name7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol
SMILESOC1c2ccccc2SCc2c1ccc(F)c2F
InChIInChI=1S/C14H10F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6,14,17H,7H2
InChIKeyOBEXFUFBCNVOKB-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol?
The IUPAC name of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol (CID 132820275) is 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol.
What is the SMILES notation for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol?
The canonical SMILES for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol is OC1c2ccccc2SCc2c1ccc(F)c2F.
What is the InChIKey of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol?
The InChIKey is OBEXFUFBCNVOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2OS/c15-11-6-5-8-10(13(11)16)7-18-12-4-2-1-3-9(12)14(8)17/h1-6,14,17H,7H2.
What are the key properties of 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol?
7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol has a molecular weight of 264.30 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-6,11-dihydrobenzo[c][1]benzothiepin-11-ol is sourced from PubChem (CID 132820275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).