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

C16H20F3NO — CID 71209545

IUPAC1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C16H20F3NO/c1-10-13(15(4,5)20(21)14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,21H,1-5H3
InChIKeyDZFBYEYUPCLUOL-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.74
Rot. Bonds1

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

1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole (PubChem CID 71209545) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole.

Molecular Properties

Compound Name1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole
PubChem CID71209545
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole
SMILESCC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)N(O)C1(C)C
InChIInChI=1S/C16H20F3NO/c1-10-13(15(4,5)20(21)14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,21H,1-5H3
InChIKeyDZFBYEYUPCLUOL-UHFFFAOYSA-N
XLogP4.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole?
The IUPAC name of 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole (CID 71209545) is 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole.
What is the SMILES notation for 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole?
The canonical SMILES for 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole is CC1=C(c2cccc(C(F)(F)F)c2)C(C)(C)N(O)C1(C)C.
What is the InChIKey of 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole?
The InChIKey is DZFBYEYUPCLUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-10-13(15(4,5)20(21)14(10,2)3)11-7-6-8-12(9-11)16(17,18)19/h6-9,21H,1-5H3.
What are the key properties of 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole?
1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole has a molecular weight of 299.34 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2,3,5,5-pentamethyl-4-[3-(trifluoromethyl)phenyl]pyrrole is sourced from PubChem (CID 71209545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).