9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine

C14H10F3NO2 — CID 159741700

IUPAC9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine
SMILESFC(F)(F)Oc1ccc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-5-9-8-19-13-4-2-1-3-11(13)18-12(9)7-10/h1-7,18H,8H2
InChIKeyNCNQYRGKBCSLSC-UHFFFAOYSA-N
MW281.23 g/mol
LogP4.22
Rot. Bonds1

About 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine

9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine (PubChem CID 159741700) has the molecular formula C14H10F3NO2 and a molecular weight of 281.23 g/mol. Its IUPAC name is 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine.

Molecular Properties

Compound Name9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine
PubChem CID159741700
Molecular FormulaC14H10F3NO2
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Name9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine
SMILESFC(F)(F)Oc1ccc2c(c1)Nc1ccccc1OC2
InChIInChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-5-9-8-19-13-4-2-1-3-11(13)18-12(9)7-10/h1-7,18H,8H2
InChIKeyNCNQYRGKBCSLSC-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,11-dihydrobenzo[c][1,5]benzoxazepin-9-yl)ethanone
CID 135039301
2-methyl-8-(trifluoromethoxy)-4,5-dihydro-1H-1,3-benzodiazepine
CID 143800904
4,11,22-trioxa-15-azapentacyclo[12.9.0.03,12.05,10.016,21]tricosa-1,3(12),6,8,13,16,18,20-octaene
CID 163910304
10-[4-(trifluoromethyl)phenyl]-6,11-dihydrobenzo[c][1,5]benzoxazepine
CID 46223646
2-fluoro-5,11-dihydropyrido[2,3-c][1,5]benzoxazepine
CID 59644002
6,11-dihydrobenzo[c][1,5]benzoxazocin-12-one
CID 11775838
2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 164550227
2-(trifluoromethoxy)triphenylene
CID 154001040
7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
CID 174355835
4H-1,4-benzoxazin-3-one;naphthalene
CID 165122765
(6aR,12aS)-12-methoxy-7,7-dimethyl-9-(trifluoromethoxy)-6a,12a-dihydro-6H-chromeno[4,3-b]quinoline
CID 69132093
2-(trifluoromethyl)-6,12-dihydrobenzo[c][1,6]benzoxazocin-11-one
CID 154202632

Frequently Asked Questions

What is the IUPAC name of 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine?
The IUPAC name of 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine (CID 159741700) is 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine.
What is the SMILES notation for 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine?
The canonical SMILES for 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine is FC(F)(F)Oc1ccc2c(c1)Nc1ccccc1OC2.
What is the InChIKey of 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine?
The InChIKey is NCNQYRGKBCSLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO2/c15-14(16,17)20-10-6-5-9-8-19-13-4-2-1-3-11(13)18-12(9)7-10/h1-7,18H,8H2.
What are the key properties of 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine?
9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine has a molecular weight of 281.23 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(trifluoromethoxy)-6,11-dihydrobenzo[c][1,5]benzoxazepine is sourced from PubChem (CID 159741700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).