N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide

C9H15F3N2O2 — CID 63827244

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCNC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-8(15)7-1-2-13-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyIQUUJKXLWVDFIJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.29
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63827244) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
PubChem CID63827244
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCNC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-8(15)7-1-2-13-5-7/h7,13H,1-6H2,(H,14,15)
InChIKeyIQUUJKXLWVDFIJ-UHFFFAOYSA-N
XLogP0.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.29
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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Related Compounds

N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
N-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119781584
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-3-carboxamide
CID 119736792
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
N-(2-fluoroethyl)pyrrolidine-3-carboxamide
CID 76624204
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
(3R)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]pyrrolidine-3-carboxamide
CID 124727558
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
2-[2-[[(3S)-piperidine-3-carbonyl]amino]ethoxy]acetic acid
CID 81134707
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide (CID 63827244) is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide is O=C(NCCOCC(F)(F)F)C1CCNC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is IQUUJKXLWVDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-14-8(15)7-1-2-13-5-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63827244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).