1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone

C14H10F3NO — CID 21189594

IUPAC1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1Cc2ccc3ccccc3c2C1)C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(19)18-7-10-6-5-9-3-1-2-4-11(9)12(10)8-18/h1-6H,7-8H2
InChIKeyWFZZWKVBSBNHTQ-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.24
Rot. Bonds

About 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone

1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone (PubChem CID 21189594) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone
PubChem CID21189594
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1Cc2ccc3ccccc3c2C1)C(F)(F)F
InChIInChI=1S/C14H10F3NO/c15-14(16,17)13(19)18-7-10-6-5-9-3-1-2-4-11(9)12(10)8-18/h1-6H,7-8H2
InChIKeyWFZZWKVBSBNHTQ-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

US10662159, Example 25
CID 138619196
Benz(f)isoindoline, 2-ethyl-, hydrobromide
CID 3045452
2,2-Dimethylbenz[f]isoindolinium bromide
CID 12482124
N-[Cyano(2-naphthyl)methyl]-N-allyltrifluoroacetamide
CID 9797056
2-(Trifluoroacetyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 58784549
2,2,2-trifluoro-1-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58870273
N-[cyano(naphthalen-1-yl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 60036344
N-[2-(cyclohexen-1-yl)-1-naphthalen-2-ylethyl]-2,2,2-trifluoroacetamide
CID 49858887
1-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 10705377
N-[(S)-cyano(naphthalen-2-yl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 101368629
N-[(S)-cyano(naphthalen-1-yl)methyl]-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 134916599
(6S)-8-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyrido[2,1-a]isoindol-4-one
CID 134963174

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone (CID 21189594) is 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone is O=C(N1Cc2ccc3ccccc3c2C1)C(F)(F)F.
What is the InChIKey of 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is WFZZWKVBSBNHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)13(19)18-7-10-6-5-9-3-1-2-4-11(9)12(10)8-18/h1-6H,7-8H2.
What are the key properties of 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone?
1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 265.23 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydrobenzo[e]isoindol-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 21189594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).