(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole

C20H18FN — CID 134949946

IUPAC(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole
SMILESCC1=N[C@](C)(/C=C/c2ccccc2)C(c2ccc(F)cc2)=C1
InChIInChI=1S/C20H18FN/c1-15-14-19(17-8-10-18(21)11-9-17)20(2,22-15)13-12-16-6-4-3-5-7-16/h3-14H,1-2H3/b13-12+/t20-/m1/s1
InChIKeyITEVRHZPMYFURJ-DRUFCSCSSA-N
MW291.37 g/mol
LogP5.16
Rot. Bonds3

About (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole

(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole (PubChem CID 134949946) has the molecular formula C20H18FN and a molecular weight of 291.37 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole
PubChem CID134949946
Molecular FormulaC20H18FN
Molecular Weight291.37 g/mol
Exact Mass291.14
IUPAC Name(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole
SMILESCC1=N[C@](C)(/C=C/c2ccccc2)C(c2ccc(F)cc2)=C1
InChIInChI=1S/C20H18FN/c1-15-14-19(17-8-10-18(21)11-9-17)20(2,22-15)13-12-16-6-4-3-5-7-16/h3-14H,1-2H3/b13-12+/t20-/m1/s1
InChIKeyITEVRHZPMYFURJ-DRUFCSCSSA-N
XLogP5.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole?
The IUPAC name of (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole (CID 134949946) is (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole is CC1=N[C@](C)(/C=C/c2ccccc2)C(c2ccc(F)cc2)=C1.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole?
The InChIKey is ITEVRHZPMYFURJ-DRUFCSCSSA-N. The full InChI is InChI=1S/C20H18FN/c1-15-14-19(17-8-10-18(21)11-9-17)20(2,22-15)13-12-16-6-4-3-5-7-16/h3-14H,1-2H3/b13-12+/t20-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole?
(2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole has a molecular weight of 291.37 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-2,5-dimethyl-2-[(E)-2-phenylethenyl]pyrrole is sourced from PubChem (CID 134949946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).