(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole

C18H16F3N — CID 138984902

IUPAC(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole
SMILESCC(C)[C@@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H16F3N/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(22-17)18(19,20)21/h3-12H,1-2H3/t17-/m0/s1
InChIKeyWXWPAFVGYCSJDZ-KRWDZBQOSA-N
MW303.33 g/mol
LogP4.95
Rot. Bonds2

About (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole

(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole (PubChem CID 138984902) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole
PubChem CID138984902
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole
SMILESCC(C)[C@@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H16F3N/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(22-17)18(19,20)21/h3-12H,1-2H3/t17-/m0/s1
InChIKeyWXWPAFVGYCSJDZ-KRWDZBQOSA-N
XLogP4.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-benzyl-2-fluoro-2,3-dihydroinden-1-imine
CID 135077780
(1S)-5-fluoro-1-(4-fluorophenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole
CID 138984904
(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole
CID 138984906
(1R)-1-methyl-1-phenyl-3-(trifluoromethyl)isoindole
CID 138984910
(1R)-1-phenyl-1-(3-phenylpropyl)-3-(trifluoromethyl)isoindole
CID 138984913
N-benzyl-2,2,2-trifluoro-1-(4-methylphenyl)ethanimine
CID 177850064
2,2,2-trifluoro-N-[(3-methylphenyl)methyl]-1-phenylethanimine
CID 177850066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The IUPAC name of (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole (CID 138984902) is (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole is CC(C)[C@@]1(c2ccccc2)N=C(C(F)(F)F)c2ccccc21.
What is the InChIKey of (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The InChIKey is WXWPAFVGYCSJDZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16F3N/c1-12(2)17(13-8-4-3-5-9-13)15-11-7-6-10-14(15)16(22-17)18(19,20)21/h3-12H,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole?
(1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole has a molecular weight of 303.33 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-propan-2-yl-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).