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

C7H8F2N2O — CID 154245523

IUPAC1-(2,2-difluoroethyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CC(F)F)c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-2-1-5(3-11)7(10)12/h1-3,6H,4H2,(H2,10,12)
InChIKeyYKYQQQFJAGBZHA-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.85
Rot. Bonds3

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

1-(2,2-difluoroethyl)pyrrole-3-carboxamide (PubChem CID 154245523) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)pyrrole-3-carboxamide
PubChem CID154245523
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name1-(2,2-difluoroethyl)pyrrole-3-carboxamide
SMILESNC(=O)c1ccn(CC(F)F)c1
InChIInChI=1S/C7H8F2N2O/c8-6(9)4-11-2-1-5(3-11)7(10)12/h1-3,6H,4H2,(H2,10,12)
InChIKeyYKYQQQFJAGBZHA-UHFFFAOYSA-N
XLogP0.85
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1H-pyrrole-3-carbaldehyde
CID 3751373
1-tert-Butyl-1H-pyrrole-3-carbaldehyde
CID 6485565
1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
4-(Difluoromethyl)-1-methyl-1H-pyrrole-3-carbonyl fluoride
CID 17982043
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]-1H-pyrrole-3-carbaldehyde
CID 145874440
1-(Trifluoromethyl)pyrrole-3-carboxamide
CID 17998073
4-(difluoromethyl)-N,1-dimethylpyrrole-3-carboxamide
CID 60084262
5-fluoro-1H-pyrrole-3-carboxamide
CID 67965401
N-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 68517955
1-Methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 69132530
1-[3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]pyrrole-3-carbaldehyde
CID 89122882

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2,2-difluoroethyl)pyrrole-3-carboxamide (CID 154245523) is 1-(2,2-difluoroethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2,2-difluoroethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2,2-difluoroethyl)pyrrole-3-carboxamide is NC(=O)c1ccn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)pyrrole-3-carboxamide?
The InChIKey is YKYQQQFJAGBZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-6(9)4-11-2-1-5(3-11)7(10)12/h1-3,6H,4H2,(H2,10,12).
What are the key properties of 1-(2,2-difluoroethyl)pyrrole-3-carboxamide?
1-(2,2-difluoroethyl)pyrrole-3-carboxamide has a molecular weight of 174.15 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 154245523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).