12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine

C16H13F2NO — CID 20678499

IUPAC12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2C(F)(F)Cc2ccccc21
InChIInChI=1S/C16H13F2NO/c1-20-15-12-7-3-2-6-11(12)10-16(17,18)13-8-4-5-9-14(13)19-15/h2-9H,10H2,1H3/b19-15+
InChIKeyUMWIKVCUNABVGO-XDJHFCHBSA-N
MW273.28 g/mol
LogP4.06
Rot. Bonds

About 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine

12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine (PubChem CID 20678499) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine.

Molecular Properties

Compound Name12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine
PubChem CID20678499
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine
SMILESCO/C1=N/c2ccccc2C(F)(F)Cc2ccccc21
InChIInChI=1S/C16H13F2NO/c1-20-15-12-7-3-2-6-11(12)10-16(17,18)13-8-4-5-9-14(13)19-15/h2-9H,10H2,1H3/b19-15+
InChIKeyUMWIKVCUNABVGO-XDJHFCHBSA-N
XLogP4.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine?
The IUPAC name of 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine (CID 20678499) is 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine.
What is the SMILES notation for 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine?
The canonical SMILES for 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine is CO/C1=N/c2ccccc2C(F)(F)Cc2ccccc21.
What is the InChIKey of 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine?
The InChIKey is UMWIKVCUNABVGO-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-20-15-12-7-3-2-6-11(12)10-16(17,18)13-8-4-5-9-14(13)19-15/h2-9H,10H2,1H3/b19-15+.
What are the key properties of 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine?
12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine has a molecular weight of 273.28 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-difluoro-6-methoxy-11H-benzo[c][1]benzazocine is sourced from PubChem (CID 20678499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).