2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide

C6H5F3N2O — CID 115190117

IUPAC2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Nc1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)11-4-2-1-3-10-4/h1-3,10H,(H,11,12)
InChIKeyCJSGKCDKHBMJCG-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.52
Rot. Bonds1

About 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide

2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide (PubChem CID 115190117) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide
PubChem CID115190117
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide
SMILESO=C(Nc1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(12)11-4-2-1-3-10-4/h1-3,10H,(H,11,12)
InChIKeyCJSGKCDKHBMJCG-UHFFFAOYSA-N
XLogP1.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-Aminopyrrole
CID 5324781
1H-pyrrolo[2,3-d]pyrimidin-2(3H)-one
CID 24888096
1,7-Dihydro-6H-pyrrolo(2,3-b)pyridin-6-one
CID 11528350
2-Dimethylaminopyrrole
CID 15826366
N-Methyl-1H-pyrrol-2-amine
CID 17805735
N-(1-methylpyrrol-2-yl)formamide
CID 17888963
Pyrrolo[1,2-a]pyrimidinone
CID 18619702
Aziridinylazole
CID 20447273
Azolyl isocyanate
CID 23062270
Ethyl 1H-pyrrol-2-ylcarbamate
CID 50742608
N-(1H-pyrrol-2-yl)formamide
CID 54492709
1H-pyrrol-2-ylcyanamide
CID 57061971

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide (CID 115190117) is 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide is O=C(Nc1ccc[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide?
The InChIKey is CJSGKCDKHBMJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5(12)11-4-2-1-3-10-4/h1-3,10H,(H,11,12).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide?
2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide has a molecular weight of 178.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 115190117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).