1,4-dimethyl-2-(trifluoromethoxy)pyrrole

C7H8F3NO — CID 144946166

IUPAC1,4-dimethyl-2-(trifluoromethoxy)pyrrole
SMILESCc1cc(OC(F)(F)F)n(C)c1
InChIInChI=1S/C7H8F3NO/c1-5-3-6(11(2)4-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyJPPYGJOAUADJFY-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.23
Rot. Bonds1

About 1,4-dimethyl-2-(trifluoromethoxy)pyrrole

1,4-dimethyl-2-(trifluoromethoxy)pyrrole (PubChem CID 144946166) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 1,4-dimethyl-2-(trifluoromethoxy)pyrrole.

Molecular Properties

Compound Name1,4-dimethyl-2-(trifluoromethoxy)pyrrole
PubChem CID144946166
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name1,4-dimethyl-2-(trifluoromethoxy)pyrrole
SMILESCc1cc(OC(F)(F)F)n(C)c1
InChIInChI=1S/C7H8F3NO/c1-5-3-6(11(2)4-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyJPPYGJOAUADJFY-UHFFFAOYSA-N
XLogP2.23
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(trifluoromethoxy)pyrrole?
The IUPAC name of 1,4-dimethyl-2-(trifluoromethoxy)pyrrole (CID 144946166) is 1,4-dimethyl-2-(trifluoromethoxy)pyrrole.
What is the SMILES notation for 1,4-dimethyl-2-(trifluoromethoxy)pyrrole?
The canonical SMILES for 1,4-dimethyl-2-(trifluoromethoxy)pyrrole is Cc1cc(OC(F)(F)F)n(C)c1.
What is the InChIKey of 1,4-dimethyl-2-(trifluoromethoxy)pyrrole?
The InChIKey is JPPYGJOAUADJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-5-3-6(11(2)4-5)12-7(8,9)10/h3-4H,1-2H3.
What are the key properties of 1,4-dimethyl-2-(trifluoromethoxy)pyrrole?
1,4-dimethyl-2-(trifluoromethoxy)pyrrole has a molecular weight of 179.14 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(trifluoromethoxy)pyrrole is sourced from PubChem (CID 144946166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).