2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C8H9F3N2O — CID 63810484

IUPAC2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cccc1)NCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-12-7(14)5-13-3-1-2-4-13/h1-4H,5-6H2,(H,12,14)
InChIKeyOUHUJFOQNVXJGK-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.17
Rot. Bonds3

About 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide

2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 63810484) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID63810484
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1cccc1)NCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)6-12-7(14)5-13-3-1-2-4-13/h1-4H,5-6H2,(H,12,14)
InChIKeyOUHUJFOQNVXJGK-UHFFFAOYSA-N
XLogP1.17
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 63810484) is 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1cccc1)NCC(F)(F)F.
What is the InChIKey of 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is OUHUJFOQNVXJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)6-12-7(14)5-13-3-1-2-4-13/h1-4H,5-6H2,(H,12,14).
What are the key properties of 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 206.17 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 63810484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).