N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide

C7H8F2N2O — CID 126993120

IUPACN-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCC(F)F)c1cc[nH]c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-7(12)5-1-2-10-3-5/h1-3,6,10H,4H2,(H,11,12)
InChIKeyXLOQVWHOPIOREB-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.01
Rot. Bonds3

About N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide

N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide (PubChem CID 126993120) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide
PubChem CID126993120
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC NameN-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(NCC(F)F)c1cc[nH]c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-7(12)5-1-2-10-3-5/h1-3,6,10H,4H2,(H,11,12)
InChIKeyXLOQVWHOPIOREB-UHFFFAOYSA-N
XLogP1.01
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide (CID 126993120) is N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide is O=C(NCC(F)F)c1cc[nH]c1.
What is the InChIKey of N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is XLOQVWHOPIOREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-6(9)4-11-7(12)5-1-2-10-3-5/h1-3,6,10H,4H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide?
N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 174.15 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 126993120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).