2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one

C15H10F3NO2 — CID 154202632

IUPAC2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2OCc2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-5-6-13-12(7-10)19-14(20)11-4-2-1-3-9(11)8-21-13/h1-7H,8H2,(H,19,20)
InChIKeyNLFHJBINWYTGEL-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.85
Rot. Bonds

About 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one

2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one (PubChem CID 154202632) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
PubChem CID154202632
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2OCc2ccccc21
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)10-5-6-13-12(7-10)19-14(20)11-4-2-1-3-9(11)8-21-13/h1-7H,8H2,(H,19,20)
InChIKeyNLFHJBINWYTGEL-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The IUPAC name of 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one (CID 154202632) is 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one.
What is the SMILES notation for 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The canonical SMILES for 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one is O=C1Nc2cc(C(F)(F)F)ccc2OCc2ccccc21.
What is the InChIKey of 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
The InChIKey is NLFHJBINWYTGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)10-5-6-13-12(7-10)19-14(20)11-4-2-1-3-9(11)8-21-13/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one?
2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one has a molecular weight of 293.24 g/mol, XLogP of 3.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one is sourced from PubChem (CID 154202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).