N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 63708600

IUPACN-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-6-5-15-8(16)9(10(11,12)13)3-4-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyBFPHNQRDAOTJRB-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.68
Rot. Bonds5

About N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708600) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708600
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCCOCCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-2-17-6-5-15-8(16)9(10(11,12)13)3-4-14-7-9/h14H,2-7H2,1H3,(H,15,16)
InChIKeyBFPHNQRDAOTJRB-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708600) is N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CCOCCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is BFPHNQRDAOTJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-2-17-6-5-15-8(16)9(10(11,12)13)3-4-14-7-9/h14H,2-7H2,1H3,(H,15,16).
What are the key properties of N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).