2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide

C8H9F3N2O — CID 103725461

IUPAC2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(NCCn1cccc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(14)12-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6H2,(H,12,14)
InChIKeyYFOPYXXSEIRRPX-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.17
Rot. Bonds3

About 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide

2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 103725461) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID103725461
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide
SMILESO=C(NCCn1cccc1)C(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(14)12-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6H2,(H,12,14)
InChIKeyYFOPYXXSEIRRPX-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 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide (CID 103725461) is 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide is O=C(NCCn1cccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is YFOPYXXSEIRRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)12-3-6-13-4-1-2-5-13/h1-2,4-5H,3,6H2,(H,12,14).
What are the key properties of 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide?
2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)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 2,2,2-trifluoro-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 103725461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).