(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole

C16H12F3N — CID 138984910

IUPAC(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole
SMILESC[C@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H12F3N/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(20-15)16(17,18)19/h2-10H,1H3/t15-/m1/s1
InChIKeyITQFMGUSJBGAKJ-OAHLLOKOSA-N
MW275.27 g/mol
LogP4.32
Rot. Bonds1

About (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole

(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole (PubChem CID 138984910) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole
PubChem CID138984910
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole
SMILESC[C@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H12F3N/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(20-15)16(17,18)19/h2-10H,1H3/t15-/m1/s1
InChIKeyITQFMGUSJBGAKJ-OAHLLOKOSA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3-trimethylisoindole N-oxide
CID 12142724
(4R)-2,4beta-Diphenyl-4-(trifluoromethyl)-1-pyrroline
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N-Benzyl-1-phenyl-2,2,2-trifluoroethaneimine
CID 10912345
N-benzyl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11737493
1-Methyl-3-[4-(trifluoromethyl)phenyl]-3,4-dihydroisoquinoline
CID 102037146
(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole
CID 134949946
(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole
CID 134956219
N-(7-methyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[4-(trifluoromethyl)phenyl]methanimine
CID 135073501
N-benzyl-2-fluoro-2,3-dihydroinden-1-imine
CID 135077780
(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole
CID 138984902
(1S)-5-fluoro-1-(4-fluorophenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole
CID 138984904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole?
The IUPAC name of (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole (CID 138984910) is (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole is C[C@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21.
What is the InChIKey of (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole?
The InChIKey is ITQFMGUSJBGAKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F3N/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(20-15)16(17,18)19/h2-10H,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole?
(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole has a molecular weight of 275.27 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).