2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

C19H16F3NO2 — CID 166228873

IUPAC2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)15-5-6-17-16(11-15)23(7-8-25-17)18(24)14-9-12-3-1-2-4-13(12)10-14/h1-6,11,14H,7-10H2
InChIKeyFMYXUKOOLSMJGT-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.85
Rot. Bonds1

About 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone

2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (PubChem CID 166228873) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
PubChem CID166228873
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
SMILESO=C(C1Cc2ccccc2C1)N1CCOc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H16F3NO2/c20-19(21,22)15-5-6-17-16(11-15)23(7-8-25-17)18(24)14-9-12-3-1-2-4-13(12)10-14/h1-6,11,14H,7-10H2
InChIKeyFMYXUKOOLSMJGT-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 97226753
1-[(2S)-2-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]pyrrolidin-1-yl]ethanone
CID 86819193
3,4-dihydro-2H-chromen-3-yl-[2,2-dimethyl-6-(trifluoromethyl)-3H-1,4-benzoxazin-4-yl]methanone
CID 166272779
N-[(2R)-3-methyl-1-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]butan-2-yl]acetamide
CID 100694440
1-methyl-4-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazine-4-carbonyl]pyridin-2-one
CID 71850680
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(1-propylpyrazol-4-yl)-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 86786615
[5-(oxolan-2-yl)-1,3-oxazol-4-yl]-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 136535330
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
(6-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 130345290
oxan-4-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 52572016

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone (CID 166228873) is 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is O=C(C1Cc2ccccc2C1)N1CCOc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
The InChIKey is FMYXUKOOLSMJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO2/c20-19(21,22)15-5-6-17-16(11-15)23(7-8-25-17)18(24)14-9-12-3-1-2-4-13(12)10-14/h1-6,11,14H,7-10H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone?
2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone has a molecular weight of 347.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]methanone is sourced from PubChem (CID 166228873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).