3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C7H11F3N2O — CID 126990711

IUPAC3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)3-5-1-2-12(4-5)6(11)13/h5H,1-4H2,(H2,11,13)
InChIKeyKXJJXWUXNXYAAM-UHFFFAOYSA-N
MW196.17 g/mol
LogP1.34
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 126990711) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID126990711
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(CC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)3-5-1-2-12(4-5)6(11)13/h5H,1-4H2,(H2,11,13)
InChIKeyKXJJXWUXNXYAAM-UHFFFAOYSA-N
XLogP1.34
TPSA46.33 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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 126990711) is 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is NC(=O)N1CCC(CC(F)(F)F)C1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is KXJJXWUXNXYAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)3-5-1-2-12(4-5)6(11)13/h5H,1-4H2,(H2,11,13).
What are the key properties of 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126990711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).