N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide

C7H11F3N2O2 — CID 81433256

IUPACN-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCCN1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-12-6(13)5-2-1-3-11-5/h5,11H,1-4H2,(H,12,13)
InChIKeySVNNILDGBWANDY-UHFFFAOYSA-N
MW212.17 g/mol
LogP0.35
Rot. Bonds3

About N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide

N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide (PubChem CID 81433256) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
PubChem CID81433256
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC NameN-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
SMILESO=C(NOCC(F)(F)F)C1CCCN1
InChIInChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-12-6(13)5-2-1-3-11-5/h5,11H,1-4H2,(H,12,13)
InChIKeySVNNILDGBWANDY-UHFFFAOYSA-N
XLogP0.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
CID 103955972
N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
CID 81340909
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 82724337
N-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxamide
CID 79046602
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
N-(fluoromethyl)pyrrolidine-2-carboxamide
CID 123273673
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
(2R)-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119698605
N-[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119315217
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 18324145

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide (CID 81433256) is N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide is O=C(NOCC(F)(F)F)C1CCCN1.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide?
The InChIKey is SVNNILDGBWANDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c8-7(9,10)4-14-12-6(13)5-2-1-3-11-5/h5,11H,1-4H2,(H,12,13).
What are the key properties of N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide?
N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide has a molecular weight of 212.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide is sourced from PubChem (CID 81433256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).