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

C10H17F3N2O — CID 63140036

IUPAC3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)CC(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-3-9(4-5-14-6-9)8(16)15(2)7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyARSDOYREUQPRGC-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

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

3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63140036) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63140036
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)N(C)CC(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-3-9(4-5-14-6-9)8(16)15(2)7-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyARSDOYREUQPRGC-UHFFFAOYSA-N
XLogP1.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63140036) is 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)N(C)CC(F)(F)F)CCNC1.
What is the InChIKey of 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is ARSDOYREUQPRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-9(4-5-14-6-9)8(16)15(2)7-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63140036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).