5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile

C13H10ClF3N2 — CID 10979039

IUPAC5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile
SMILESCN1C(c2ccc(Cl)cc2)=C(C#N)CC1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c1-19-11(13(15,16)17)6-9(7-18)12(19)8-2-4-10(14)5-3-8/h2-5,11H,6H2,1H3
InChIKeyNQVOYFVTYSSUKZ-UHFFFAOYSA-N
MW286.68 g/mol
LogP3.84
Rot. Bonds1

About 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile

5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile (PubChem CID 10979039) has the molecular formula C13H10ClF3N2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile
PubChem CID10979039
Molecular FormulaC13H10ClF3N2
Molecular Weight286.68 g/mol
Exact Mass286.05
IUPAC Name5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile
SMILESCN1C(c2ccc(Cl)cc2)=C(C#N)CC1C(F)(F)F
InChIInChI=1S/C13H10ClF3N2/c1-19-11(13(15,16)17)6-9(7-18)12(19)8-2-4-10(14)5-3-8/h2-5,11H,6H2,1H3
InChIKeyNQVOYFVTYSSUKZ-UHFFFAOYSA-N
XLogP3.84
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile (CID 10979039) is 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile is CN1C(c2ccc(Cl)cc2)=C(C#N)CC1C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile?
The InChIKey is NQVOYFVTYSSUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N2/c1-19-11(13(15,16)17)6-9(7-18)12(19)8-2-4-10(14)5-3-8/h2-5,11H,6H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile?
5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile has a molecular weight of 286.68 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-methyl-2-(trifluoromethyl)-2,3-dihydropyrrole-4-carbonitrile is sourced from PubChem (CID 10979039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).