N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C7H11F3N2O — CID 115575930

IUPACN-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-11-6(13)12-3-1-2-4-12/h1-5H2,(H,11,13)
InChIKeyAIMNIQQARYJPRU-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.35
Rot. Bonds1

About N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 115575930) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID115575930
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)5-11-6(13)12-3-1-2-4-12/h1-5H2,(H,11,13)
InChIKeyAIMNIQQARYJPRU-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 115575930) is N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is O=C(NCC(F)(F)F)N1CCCC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is AIMNIQQARYJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)5-11-6(13)12-3-1-2-4-12/h1-5H2,(H,11,13).
What are the key properties of N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 115575930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).