1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone

C20H16F3NO3 — CID 15572342

IUPAC1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(-c2cc(C(=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H16F3NO3/c1-26-14-7-3-12(4-8-14)16-11-17(19(25)20(21,22)23)24-18(16)13-5-9-15(27-2)10-6-13/h3-11,24H,1-2H3
InChIKeyBULRPSMQHLOYEZ-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.11
Rot. Bonds5

About 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone

1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone (PubChem CID 15572342) has the molecular formula C20H16F3NO3 and a molecular weight of 375.35 g/mol. Its IUPAC name is 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
PubChem CID15572342
Molecular FormulaC20H16F3NO3
Molecular Weight375.35 g/mol
Exact Mass375.11
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone
SMILESCOc1ccc(-c2cc(C(=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H16F3NO3/c1-26-14-7-3-12(4-8-14)16-11-17(19(25)20(21,22)23)24-18(16)13-5-9-15(27-2)10-6-13/h3-11,24H,1-2H3
InChIKeyBULRPSMQHLOYEZ-UHFFFAOYSA-N
XLogP5.11
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
5-ethyl-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281958
4-(4-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 82089759
5-(4-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 15687843
(4R)-4-(4-methoxyphenyl)-5-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 97309068
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
CID 146557266
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
2,2,2-trifluoro-1-[3-hydroxy-7-(4-methoxyphenyl)-5-methyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-2-yl]ethanone
CID 13284764
1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
CID 13127265
2-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
CID 15753032
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone (CID 15572342) is 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone is COc1ccc(-c2cc(C(=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
The InChIKey is BULRPSMQHLOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO3/c1-26-14-7-3-12(4-8-14)16-11-17(19(25)20(21,22)23)24-18(16)13-5-9-15(27-2)10-6-13/h3-11,24H,1-2H3.
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone?
1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone has a molecular weight of 375.35 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-methoxyphenyl)-1H-pyrrol-2-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 15572342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).