N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide

C12H22F2N2O2 — CID 114127404

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCOCC(F)F)CCCN1
InChIInChI=1S/C12H22F2N2O2/c1-2-4-12(5-3-6-16-12)11(17)15-7-8-18-9-10(13)14/h10,16H,2-9H2,1H3,(H,15,17)
InChIKeyTVOSFFJOLAYZBA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds8

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

N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 114127404) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide
PubChem CID114127404
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCOCC(F)F)CCCN1
InChIInChI=1S/C12H22F2N2O2/c1-2-4-12(5-3-6-16-12)11(17)15-7-8-18-9-10(13)14/h10,16H,2-9H2,1H3,(H,15,17)
InChIKeyTVOSFFJOLAYZBA-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
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-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide (CID 114127404) is N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCCOCC(F)F)CCCN1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is TVOSFFJOLAYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-2-4-12(5-3-6-16-12)11(17)15-7-8-18-9-10(13)14/h10,16H,2-9H2,1H3,(H,15,17).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide?
N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114127404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).