N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide

C9H16F2N2O2 — CID 103081951

IUPACN-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCOCC(F)F)N1CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7-15-6-3-12-9(14)13-4-1-2-5-13/h8H,1-7H2,(H,12,14)
InChIKeyFWIBTLWXUCMPKI-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.07
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide

N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide (PubChem CID 103081951) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide
PubChem CID103081951
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCOCC(F)F)N1CCCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7-15-6-3-12-9(14)13-4-1-2-5-13/h8H,1-7H2,(H,12,14)
InChIKeyFWIBTLWXUCMPKI-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide (CID 103081951) is N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide is O=C(NCCOCC(F)F)N1CCCC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is FWIBTLWXUCMPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)7-15-6-3-12-9(14)13-4-1-2-5-13/h8H,1-7H2,(H,12,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 103081951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).