1-phenyl-7-(trifluoromethyl)-2H-isoindole

C15H10F3N — CID 150565953

IUPAC1-phenyl-7-(trifluoromethyl)-2H-isoindole
SMILESFC(F)(F)c1cccc2c[nH]c(-c3ccccc3)c12
InChIInChI=1S/C15H10F3N/c16-15(17,18)12-8-4-7-11-9-19-14(13(11)12)10-5-2-1-3-6-10/h1-9,19H
InChIKeyIKVHVZVPXKFRMA-UHFFFAOYSA-N
MW261.25 g/mol
LogP4.85
Rot. Bonds1

About 1-phenyl-7-(trifluoromethyl)-2H-isoindole

1-phenyl-7-(trifluoromethyl)-2H-isoindole (PubChem CID 150565953) has the molecular formula C15H10F3N and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-phenyl-7-(trifluoromethyl)-2H-isoindole.

Molecular Properties

Compound Name1-phenyl-7-(trifluoromethyl)-2H-isoindole
PubChem CID150565953
Molecular FormulaC15H10F3N
Molecular Weight261.25 g/mol
Exact Mass261.08
IUPAC Name1-phenyl-7-(trifluoromethyl)-2H-isoindole
SMILESFC(F)(F)c1cccc2c[nH]c(-c3ccccc3)c12
InChIInChI=1S/C15H10F3N/c16-15(17,18)12-8-4-7-11-9-19-14(13(11)12)10-5-2-1-3-6-10/h1-9,19H
InChIKeyIKVHVZVPXKFRMA-UHFFFAOYSA-N
XLogP4.85
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
CID 57226525
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1-chloro-8-(trifluoromethyl)isoquinoline
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2-methyl-4-phenyl-5-(trifluoromethyl)quinolin-3-ol
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2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
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2-amino-3-[4-(trifluoromethyl)-1H-indol-3-yl]propanoic acid
CID 146451545
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
8-(trifluoromethyl)-1H-naphthalen-1-ide;yttrium
CID 166533772
1-iodo-4-phenyl-2-(trifluoromethyl)benzene
CID 46315008
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-7-(trifluoromethyl)-2H-isoindole?
The IUPAC name of 1-phenyl-7-(trifluoromethyl)-2H-isoindole (CID 150565953) is 1-phenyl-7-(trifluoromethyl)-2H-isoindole.
What is the SMILES notation for 1-phenyl-7-(trifluoromethyl)-2H-isoindole?
The canonical SMILES for 1-phenyl-7-(trifluoromethyl)-2H-isoindole is FC(F)(F)c1cccc2c[nH]c(-c3ccccc3)c12.
What is the InChIKey of 1-phenyl-7-(trifluoromethyl)-2H-isoindole?
The InChIKey is IKVHVZVPXKFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N/c16-15(17,18)12-8-4-7-11-9-19-14(13(11)12)10-5-2-1-3-6-10/h1-9,19H.
What are the key properties of 1-phenyl-7-(trifluoromethyl)-2H-isoindole?
1-phenyl-7-(trifluoromethyl)-2H-isoindole has a molecular weight of 261.25 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-7-(trifluoromethyl)-2H-isoindole is sourced from PubChem (CID 150565953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).