1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole

C15H7F12NO — CID 10813213

IUPAC1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole
SMILESCOc1ccc(-n2c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C15H7F12NO/c1-29-7-4-2-6(3-5-7)28-10(14(22,23)24)8(12(16,17)18)9(13(19,20)21)11(28)15(25,26)27/h2-5H,1H3
InChIKeyMWJVMMNXPKWSII-UHFFFAOYSA-N
MW445.20 g/mol
LogP6.56
Rot. Bonds2

About 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole

1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole (PubChem CID 10813213) has the molecular formula C15H7F12NO and a molecular weight of 445.20 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole
PubChem CID10813213
Molecular FormulaC15H7F12NO
Molecular Weight445.20 g/mol
Exact Mass445.03
IUPAC Name1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole
SMILESCOc1ccc(-n2c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C15H7F12NO/c1-29-7-4-2-6(3-5-7)28-10(14(22,23)24)8(12(16,17)18)9(13(19,20)21)11(28)15(25,26)27/h2-5H,1H3
InChIKeyMWJVMMNXPKWSII-UHFFFAOYSA-N
XLogP6.56
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.20
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(Acetyloxymethyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl acetate
CID 321873
1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrole
CID 608518
2,5-Dimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
CID 2741190
1-[4-(Difluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 2374190
([1-(4-Methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-YL]methyl)amine
CID 20983279
2,5-Dimethyl-1-(4-ethoxyphenyl)pyrrole
CID 846041
2,3,4,5-tetraethyl-1-(4-methoxyphenyl)-1H-pyrrole
CID 49836902
1H-Pyrrole, 1-(4-methoxyphenyl)-2-methyl-5-phenyl-
CID 4771831
1-(4-(difluoromethoxy)phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 16228447
4-(4-Methoxyphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 132551105
3-[4-Fluoro-3-(trifluoromethyl)phenyl]-2,4,5-trimethyl-1-[4-(trifluoromethoxy)phenyl]pyrrole
CID 164681718
3,4-Diethyl-1-(4-methoxyphenyl)pyrrole
CID 102040719

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole?
The IUPAC name of 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole (CID 10813213) is 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole?
The canonical SMILES for 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole is COc1ccc(-n2c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole?
The InChIKey is MWJVMMNXPKWSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F12NO/c1-29-7-4-2-6(3-5-7)28-10(14(22,23)24)8(12(16,17)18)9(13(19,20)21)11(28)15(25,26)27/h2-5H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole?
1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole has a molecular weight of 445.20 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2,3,4,5-tetrakis(trifluoromethyl)pyrrole is sourced from PubChem (CID 10813213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).