N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride

C7H8ClF3N2O — CID 154662954

IUPACN-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H7F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h1-3,11H,4H2,(H,12,13);1H
InChIKeyZRYWUVJLMHKBPI-UHFFFAOYSA-N
MW228.60 g/mol
LogP1.73
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride

N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 154662954) has the molecular formula C7H8ClF3N2O and a molecular weight of 228.60 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID154662954
Molecular FormulaC7H8ClF3N2O
Molecular Weight228.60 g/mol
Exact Mass228.03
IUPAC NameN-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1cc[nH]c1
InChIInChI=1S/C7H7F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h1-3,11H,4H2,(H,12,13);1H
InChIKeyZRYWUVJLMHKBPI-UHFFFAOYSA-N
XLogP1.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.60
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyrrole-3-carboxaldehyde
CID 640308
1H-pyrrole-3-carboxamide
CID 19067979
N,N-dimethyl-1H-pyrrole-3-carboxamide
CID 23057984
5-bromo-1H-pyrrole-3-carboxamide
CID 130734564
2,5-Dihydro-4h-pyrrolo[3,4-c]pyridin-4-one
CID 58157136
Azole-3-carbonyl chloride
CID 87326068
4-Methyl-1H-pyrrole-3-carboxamide
CID 90790023
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
N-methyl-4-(trifluoromethyl)-1H-pyrrole-3-carboxamide
CID 69132533

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride (CID 154662954) is N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride is Cl.O=C(NCC(F)(F)F)c1cc[nH]c1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is ZRYWUVJLMHKBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O.ClH/c8-7(9,10)4-12-6(13)5-1-2-11-3-5;/h1-3,11H,4H2,(H,12,13);1H.
What are the key properties of N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride?
N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 228.60 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 154662954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).