N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide

C7H7F3N2O3 — CID 91065552

IUPACN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(O)cc(NC(=O)C(F)(F)F)c1O
InChIInChI=1S/C7H7F3N2O3/c1-12-4(13)2-3(5(12)14)11-6(15)7(8,9)10/h2,13-14H,1H3,(H,11,15)
InChIKeyOHEGOYINLMIKBG-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.94
Rot. Bonds1

About N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide

N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 91065552) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID91065552
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC NameN-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
SMILESCn1c(O)cc(NC(=O)C(F)(F)F)c1O
InChIInChI=1S/C7H7F3N2O3/c1-12-4(13)2-3(5(12)14)11-6(15)7(8,9)10/h2,13-14H,1H3,(H,11,15)
InChIKeyOHEGOYINLMIKBG-UHFFFAOYSA-N
XLogP0.94
TPSA74.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide (CID 91065552) is N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide is Cn1c(O)cc(NC(=O)C(F)(F)F)c1O.
What is the InChIKey of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OHEGOYINLMIKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O3/c1-12-4(13)2-3(5(12)14)11-6(15)7(8,9)10/h2,13-14H,1H3,(H,11,15).
What are the key properties of N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide?
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 224.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 91065552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).