3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide

C7H7F5N2O — CID 175709142

IUPAC3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESNC(=O)N1CC=C(C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H7F5N2O/c8-6(9,7(10,11)12)4-1-2-14(3-4)5(13)15/h1H,2-3H2,(H2,13,15)
InChIKeyHQIMIQBIAKLXHC-UHFFFAOYSA-N
MW230.14 g/mol
LogP1.50
Rot. Bonds1

About 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide

3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide (PubChem CID 175709142) has the molecular formula C7H7F5N2O and a molecular weight of 230.14 g/mol. Its IUPAC name is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide
PubChem CID175709142
Molecular FormulaC7H7F5N2O
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Name3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide
SMILESNC(=O)N1CC=C(C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C7H7F5N2O/c8-6(9,7(10,11)12)4-1-2-14(3-4)5(13)15/h1H,2-3H2,(H2,13,15)
InChIKeyHQIMIQBIAKLXHC-UHFFFAOYSA-N
XLogP1.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide (CID 175709142) is 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide is NC(=O)N1CC=C(C(F)(F)C(F)(F)F)C1.
What is the InChIKey of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is HQIMIQBIAKLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2O/c8-6(9,7(10,11)12)4-1-2-14(3-4)5(13)15/h1H,2-3H2,(H2,13,15).
What are the key properties of 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide?
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 230.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 175709142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).