1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole

C19H19F6N3 — CID 23237006

IUPAC1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole
SMILESCn1cccc1C(c1ccc(C(c2cccn2C)C(F)(F)F)n1C)C(F)(F)F
InChIInChI=1S/C19H19F6N3/c1-26-10-4-6-12(26)16(18(20,21)22)14-8-9-15(28(14)3)17(19(23,24)25)13-7-5-11-27(13)2/h4-11,16-17H,1-3H3
InChIKeyMUBBNBULJSWVIY-UHFFFAOYSA-N
MW403.37 g/mol
LogP5.09
Rot. Bonds4

About 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole

1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole (PubChem CID 23237006) has the molecular formula C19H19F6N3 and a molecular weight of 403.37 g/mol. Its IUPAC name is 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole.

Molecular Properties

Compound Name1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole
PubChem CID23237006
Molecular FormulaC19H19F6N3
Molecular Weight403.37 g/mol
Exact Mass403.15
IUPAC Name1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole
SMILESCn1cccc1C(c1ccc(C(c2cccn2C)C(F)(F)F)n1C)C(F)(F)F
InChIInChI=1S/C19H19F6N3/c1-26-10-4-6-12(26)16(18(20,21)22)14-8-9-15(28(14)3)17(19(23,24)25)13-7-5-11-27(13)2/h4-11,16-17H,1-3H3
InChIKeyMUBBNBULJSWVIY-UHFFFAOYSA-N
XLogP5.09
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2'-(2,2,3,3,4,4,4-Heptafluorobutane-1,1-diyl)di(1H-pyrrole)
CID 10470855
1-methyl-2-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 6424797
1-Methyl-2-[1-methyl-5-[1-methyl-5-(1-methylpyrrol-2-yl)pyrrol-2-yl]pyrrol-2-yl]-5-phenylpyrrole
CID 155565853
1-Methyl-3-[2,2,2-trifluoro-1-(1-methylindol-3-yl)ethyl]indole
CID 78320888
1-Methyl-3-[2,2,3,3,3-pentafluoro-1-(1-methylindol-3-yl)propyl]indole
CID 155539386
2,2'-(2,2,2-Trifluoroethane-1,1-diyl)bis(1-methyl-1H-pyrrole)
CID 21583095
2-[3-(2,5-Dimethylpyrrol-1-yl)propyl]-5-(trifluoromethyl)pyridine
CID 176434287
Tripyrrylmethane
CID 15504353
2,2,2-trifluoro-1,1-bis(1H-pyrrol-2-yl)ethane
CID 9815762
8-Methyl-2-phenyldipyrrolo[1,2-a:2',1'-c]pyrazine
CID 782016
2,5-bis[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 11489808
1-Methyl-4-(trifluoromethyl)-2-phenylpyrrole
CID 49845940

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole?
The IUPAC name of 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole (CID 23237006) is 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole.
What is the SMILES notation for 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole?
The canonical SMILES for 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole is Cn1cccc1C(c1ccc(C(c2cccn2C)C(F)(F)F)n1C)C(F)(F)F.
What is the InChIKey of 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole?
The InChIKey is MUBBNBULJSWVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N3/c1-26-10-4-6-12(26)16(18(20,21)22)14-8-9-15(28(14)3)17(19(23,24)25)13-7-5-11-27(13)2/h4-11,16-17H,1-3H3.
What are the key properties of 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole?
1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole has a molecular weight of 403.37 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,5-bis[2,2,2-trifluoro-1-(1-methylpyrrol-2-yl)ethyl]pyrrole is sourced from PubChem (CID 23237006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).