(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole

C20H18F3N — CID 134956219

IUPAC(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole
SMILESC[C@]1(/C=C/c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C20H18F3N/c1-19(13-11-15-5-3-2-4-6-15)14-12-18(24-19)16-7-9-17(10-8-16)20(21,22)23/h2-11,13H,12,14H2,1H3/b13-11+/t19-/m0/s1
InChIKeyHVUHBUWPXVURIV-BPOBUFBUSA-N
MW329.37 g/mol
LogP5.76
Rot. Bonds3

About (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole

(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole (PubChem CID 134956219) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole.

Molecular Properties

Compound Name(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole
PubChem CID134956219
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole
SMILESC[C@]1(/C=C/c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)=N1
InChIInChI=1S/C20H18F3N/c1-19(13-11-15-5-3-2-4-6-15)14-12-18(24-19)16-7-9-17(10-8-16)20(21,22)23/h2-11,13H,12,14H2,1H3/b13-11+/t19-/m0/s1
InChIKeyHVUHBUWPXVURIV-BPOBUFBUSA-N
XLogP5.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole?
The IUPAC name of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole (CID 134956219) is (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole.
What is the SMILES notation for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole?
The canonical SMILES for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole is C[C@]1(/C=C/c2ccccc2)CCC(c2ccc(C(F)(F)F)cc2)=N1.
What is the InChIKey of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole?
The InChIKey is HVUHBUWPXVURIV-BPOBUFBUSA-N. The full InChI is InChI=1S/C20H18F3N/c1-19(13-11-15-5-3-2-4-6-15)14-12-18(24-19)16-7-9-17(10-8-16)20(21,22)23/h2-11,13H,12,14H2,1H3/b13-11+/t19-/m0/s1.
What are the key properties of (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole?
(2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole has a molecular weight of 329.37 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[(E)-2-phenylethenyl]-5-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrole is sourced from PubChem (CID 134956219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).