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

C9H15F3N2O2 — CID 60730883

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCCN1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-8(15)7-2-1-3-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyZQAFRXZAJRVEMA-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds5

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

N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide (PubChem CID 60730883) 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-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
PubChem CID60730883
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCCN1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-8(15)7-2-1-3-13-7/h7,13H,1-6H2,(H,14,15)
InChIKeyZQAFRXZAJRVEMA-UHFFFAOYSA-N
XLogP0.43
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 ≤ 50.43
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

4-[(2S,4R)-4-Fluoropyrrolidine-2-carbonyl]morpholine hydrochloride
CID 121552737
Pyrrolidin-2-yl-(1,4,7-trioxa-10-aza-cyclododec-10-yl)-methanone
CID 3095254
Ethyl (s)-prolylglycinate
CID 10397890
l-Prolylglycine ethyl ester hydrochloride
CID 119279993
4-[(2S,4R)-4-Fluoropyrrolidine-2-carbonyl]morpholine
CID 121552738
Gly-Pro, butyl ester, TFA
CID 527827
N-trifluoroacetyl-L-prolyl-beta-aminobutyric acid butyl ester
CID 597246
l-Prolylglycine, N-methoxycarbonyl-, 2,2,3,3,4,4,4-heptafluorobutyl ester
CID 91713189
l-Prolylglycine, N-methoxycarbonyl-, 2,2,3,3,3-pentafluoropropyl ester
CID 91713190
l-Prolylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
CID 91713191
butyl (2S)-2-[[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 101648172
butyl (2S)-2-[[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]pentanoate
CID 101648188

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide (CID 60730883) is N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide is O=C(NCCOCC(F)(F)F)C1CCCN1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is ZQAFRXZAJRVEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-5-4-14-8(15)7-2-1-3-13-7/h7,13H,1-6H2,(H,14,15).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 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-2-carboxamide is sourced from PubChem (CID 60730883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).