3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate

C20H14F4NO2- — CID 7278885

IUPAC3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
SMILESO=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)/p-1
InChIKeyWUILMWNSCHQQMI-UHFFFAOYSA-M
MW376.33 g/mol
LogP3.98
Rot. Bonds5

About 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate

3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate (PubChem CID 7278885) has the molecular formula C20H14F4NO2- and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
PubChem CID7278885
Molecular FormulaC20H14F4NO2-
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
SMILESO=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)/p-1
InChIKeyWUILMWNSCHQQMI-UHFFFAOYSA-M
XLogP3.98
TPSA45.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

3-[1-(3-bromophenyl)-5-(4-fluorophenyl)pyrrol-2-yl]propanoate
CID 6980216
3-[5-(4-fluorophenyl)-1-(2-methylphenyl)pyrrol-2-yl]propanoate
CID 3638718
3-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid
CID 1166306
3-[1-(4-ethoxycarbonylphenyl)-5-phenylpyrrol-2-yl]propanoate
CID 6981494
3-(4-fluorophenyl)-5-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 51362120
3-[5-(4-fluorophenyl)-1-(2-methyl-1,3-benzothiazol-6-yl)pyrrol-2-yl]propanoic acid
CID 18891642
2-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide
CID 21176810
3-[3-(trifluoromethyl)phenyl]benzoate
CID 7021706
4-hydroxy-5-(2-methylsulfanylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-one
CID 54282779
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 16593333
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
3-[5-phenyl-1-(2-phenylethyl)pyrrol-2-yl]propanoate
CID 3270865

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate?
The IUPAC name of 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate (CID 7278885) is 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate is O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate?
The InChIKey is WUILMWNSCHQQMI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15F4NO2/c21-15-6-4-13(5-7-15)18-10-8-16(9-11-19(26)27)25(18)17-3-1-2-14(12-17)20(22,23)24/h1-8,10,12H,9,11H2,(H,26,27)/p-1.
What are the key properties of 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate?
3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate has a molecular weight of 376.33 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate is sourced from PubChem (CID 7278885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).