2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole

C16H20F3N — CID 58838490

IUPAC2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)NC1(C)C
InChIInChI=1S/C16H20F3N/c1-10-13(15(4,5)20-14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,20H,1-5H3
InChIKeyYXLWOHKGDWRSON-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.64
Rot. Bonds1

About 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole

2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole (PubChem CID 58838490) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole
PubChem CID58838490
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)NC1(C)C
InChIInChI=1S/C16H20F3N/c1-10-13(15(4,5)20-14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,20H,1-5H3
InChIKeyYXLWOHKGDWRSON-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The IUPAC name of 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole (CID 58838490) is 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The canonical SMILES for 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole is CC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)NC1(C)C.
What is the InChIKey of 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
The InChIKey is YXLWOHKGDWRSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-10-13(15(4,5)20-14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,20H,1-5H3.
What are the key properties of 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole?
2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole has a molecular weight of 283.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrrole is sourced from PubChem (CID 58838490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).