2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide

C8H9F3N2O — CID 138523635

IUPAC2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide
SMILESCc1c(C(F)(F)F)cn(C(N)=O)c1C
InChIInChI=1S/C8H9F3N2O/c1-4-5(2)13(7(12)14)3-6(4)8(9,10)11/h3H,1-2H3,(H2,12,14)
InChIKeyRSTJWFRGLXCORN-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.05
Rot. Bonds

About 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide

2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide (PubChem CID 138523635) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide
PubChem CID138523635
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide
SMILESCc1c(C(F)(F)F)cn(C(N)=O)c1C
InChIInChI=1S/C8H9F3N2O/c1-4-5(2)13(7(12)14)3-6(4)8(9,10)11/h3H,1-2H3,(H2,12,14)
InChIKeyRSTJWFRGLXCORN-UHFFFAOYSA-N
XLogP2.05
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide?
The IUPAC name of 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide (CID 138523635) is 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide.
What is the SMILES notation for 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide?
The canonical SMILES for 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide is Cc1c(C(F)(F)F)cn(C(N)=O)c1C.
What is the InChIKey of 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide?
The InChIKey is RSTJWFRGLXCORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-4-5(2)13(7(12)14)3-6(4)8(9,10)11/h3H,1-2H3,(H2,12,14).
What are the key properties of 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide?
2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide has a molecular weight of 206.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(trifluoromethyl)pyrrole-1-carboxamide is sourced from PubChem (CID 138523635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).