N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

C8H16F2N2O2 — CID 103205419

IUPACN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCN)C(=O)CCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(4-3-11)8(13)2-5-14-6-7(9)10/h7H,2-6,11H2,1H3
InChIKeyXWERQWIDTPRSJN-UHFFFAOYSA-N
MW210.22 g/mol
LogP0.08
Rot. Bonds7

About N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide

N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (PubChem CID 103205419) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
PubChem CID103205419
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC NameN-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide
SMILESCN(CCN)C(=O)CCOCC(F)F
InChIInChI=1S/C8H16F2N2O2/c1-12(4-3-11)8(13)2-5-14-6-7(9)10/h7H,2-6,11H2,1H3
InChIKeyXWERQWIDTPRSJN-UHFFFAOYSA-N
XLogP0.08
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
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-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide (CID 103205419) is N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is CN(CCN)C(=O)CCOCC(F)F.
What is the InChIKey of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
The InChIKey is XWERQWIDTPRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-12(4-3-11)8(13)2-5-14-6-7(9)10/h7H,2-6,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide?
N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide has a molecular weight of 210.22 g/mol, XLogP of 0.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,2-difluoroethoxy)-N-methylpropanamide is sourced from PubChem (CID 103205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).