(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole

C18H14F3N — CID 138984906

IUPAC(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole
SMILESFC(F)(F)C1=N[C@](c2ccccc2)(C2CC2)c2ccccc21
InChIInChI=1S/C18H14F3N/c19-18(20,21)16-14-8-4-5-9-15(14)17(22-16,13-10-11-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t17-/m1/s1
InChIKeyFUGDQLUMTVZNJB-QGZVFWFLSA-N
MW301.31 g/mol
LogP4.71
Rot. Bonds2

About (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole

(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole (PubChem CID 138984906) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole
PubChem CID138984906
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole
SMILESFC(F)(F)C1=N[C@](c2ccccc2)(C2CC2)c2ccccc21
InChIInChI=1S/C18H14F3N/c19-18(20,21)16-14-8-4-5-9-15(14)17(22-16,13-10-11-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t17-/m1/s1
InChIKeyFUGDQLUMTVZNJB-QGZVFWFLSA-N
XLogP4.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole?
The IUPAC name of (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole (CID 138984906) is (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole is FC(F)(F)C1=N[C@](c2ccccc2)(C2CC2)c2ccccc21.
What is the InChIKey of (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole?
The InChIKey is FUGDQLUMTVZNJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H14F3N/c19-18(20,21)16-14-8-4-5-9-15(14)17(22-16,13-10-11-13)12-6-2-1-3-7-12/h1-9,13H,10-11H2/t17-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole?
(1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole has a molecular weight of 301.31 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-phenyl-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).