2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole

C21H20F3NO — CID 102423192

IUPAC2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCCOc1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)cn1CC
InChIInChI=1S/C21H20F3NO/c1-3-25-14-18(15-8-6-5-7-9-15)19(20(25)26-4-2)16-10-12-17(13-11-16)21(22,23)24/h5-14H,3-4H2,1-2H3
InChIKeyLDDKVRPFCGBPSO-UHFFFAOYSA-N
MW359.39 g/mol
LogP6.26
Rot. Bonds5

About 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole

2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole (PubChem CID 102423192) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole
PubChem CID102423192
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole
SMILESCCOc1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)cn1CC
InChIInChI=1S/C21H20F3NO/c1-3-25-14-18(15-8-6-5-7-9-15)19(20(25)26-4-2)16-10-12-17(13-11-16)21(22,23)24/h5-14H,3-4H2,1-2H3
InChIKeyLDDKVRPFCGBPSO-UHFFFAOYSA-N
XLogP6.26
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.39
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1,3-diphenylbenzene;zinc
CID 175181234
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644
ethane;ethoxybenzene;toluene;trifluoromethylbenzene
CID 178055102
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
2-ethyl-1-phenyl-4-(trifluoromethyl)benzene
CID 19702469
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-phenylethanamine
CID 21087524
1-ethoxy-2-[4-(4-phenylphenyl)phenyl]benzene
CID 151505413
1-methyl-1-[2-[1-methyl-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silol-1-yl]ethyl]-3,4-diphenyl-2,5-bis[4-(trifluoromethyl)phenyl]silole
CID 87964675
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
3-methyl-6-phenyl-2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 162617775
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
N-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]indol-5-yl]methyl]-1-naphthalen-1-ylethanamine
CID 21087523

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole (CID 102423192) is 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole is CCOc1c(-c2ccc(C(F)(F)F)cc2)c(-c2ccccc2)cn1CC.
What is the InChIKey of 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is LDDKVRPFCGBPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c1-3-25-14-18(15-8-6-5-7-9-15)19(20(25)26-4-2)16-10-12-17(13-11-16)21(22,23)24/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole?
2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 359.39 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 102423192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).