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

C10H17F3N2O — CID 63142242

IUPACN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-3-15(7-10(11,12)13)8(16)9(2)4-5-14-6-9/h14H,3-7H2,1-2H3
InChIKeyYDJXAUZAUAPSCH-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

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

N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 63142242) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID63142242
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)C1(C)CCNC1
InChIInChI=1S/C10H17F3N2O/c1-3-15(7-10(11,12)13)8(16)9(2)4-5-14-6-9/h14H,3-7H2,1-2H3
InChIKeyYDJXAUZAUAPSCH-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 N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 63142242) is N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is CCN(CC(F)(F)F)C(=O)C1(C)CCNC1.
What is the InChIKey of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is YDJXAUZAUAPSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-3-15(7-10(11,12)13)8(16)9(2)4-5-14-6-9/h14H,3-7H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
N-ethyl-3-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 N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63142242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).