3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole

C17H12Cl2F3N — CID 141437549

IUPAC3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H12Cl2F3N/c18-13-6-12(7-14(19)8-13)16(17(20,21)22)9-15(23-10-16)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyUTXMMXWJEWJMMO-UHFFFAOYSA-N
MW358.19 g/mol
LogP5.69
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole

3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 141437549) has the molecular formula C17H12Cl2F3N and a molecular weight of 358.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID141437549
Molecular FormulaC17H12Cl2F3N
Molecular Weight358.19 g/mol
Exact Mass357.03
IUPAC Name3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccccc2)C1
InChIInChI=1S/C17H12Cl2F3N/c18-13-6-12(7-14(19)8-13)16(17(20,21)22)9-15(23-10-16)11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyUTXMMXWJEWJMMO-UHFFFAOYSA-N
XLogP5.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.19
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-phenyl-3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 141437572
1-[4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methylphenyl]ethenol
CID 89286093
[4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]naphthalen-1-yl]methanamine
CID 58092075
5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-amine
CID 58200136
[4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]hydrazine
CID 87424545
N-[[2-bromo-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methyl]ethanethioamide
CID 58092110
tert-butyl-[5-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 67044827
4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-(oxetan-3-yl)benzamide
CID 54761563
4-[2-bromo-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]butan-2-one;[2-bromo-4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]phenyl]methanamine
CID 158788752
4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)benzamide
CID 118219262
2-bromo-4-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]aniline
CID 87168052
4-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-2-methyl-N-[(4R)-3-oxo-2-(3-phenylpropyl)-1,2-oxazolidin-4-yl]benzamide
CID 155653975

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 141437549) is 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is UTXMMXWJEWJMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3N/c18-13-6-12(7-14(19)8-13)16(17(20,21)22)9-15(23-10-16)11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole?
3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 358.19 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-5-phenyl-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 141437549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).