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

C7H11F3N2O — CID 63007055

IUPACN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13)
InChIKeyGZUYLFMBSAAMAO-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.27
Rot. Bonds2

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

N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63007055) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63007055
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC NameN-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCNC1
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13)
InChIKeyGZUYLFMBSAAMAO-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63007055) is N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is GZUYLFMBSAAMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)4-12-6(13)5-1-2-11-3-5/h5,11H,1-4H2,(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).