N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 63710067

IUPACN-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-15(5-6-17-2)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3
InChIKeyNZSHYGHUQWMJCZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.63
Rot. Bonds4

About N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63710067) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63710067
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(C)C(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-15(5-6-17-2)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3
InChIKeyNZSHYGHUQWMJCZ-UHFFFAOYSA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63710067) is N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is COCCN(C)C(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is NZSHYGHUQWMJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-15(5-6-17-2)8(16)9(10(11,12)13)3-4-14-7-9/h14H,3-7H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63710067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).