3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide

C6H12F2N2O2 — CID 106113404

IUPAC3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-12-4(2-9)6(11)10-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyQCJMLIDOOXCQSL-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.66
Rot. Bonds5

About 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide

3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide (PubChem CID 106113404) has the molecular formula C6H12F2N2O2 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide
PubChem CID106113404
Molecular FormulaC6H12F2N2O2
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)NCC(F)F
InChIInChI=1S/C6H12F2N2O2/c1-12-4(2-9)6(11)10-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11)
InChIKeyQCJMLIDOOXCQSL-UHFFFAOYSA-N
XLogP-0.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide (CID 106113404) is 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide is COC(CN)C(=O)NCC(F)F.
What is the InChIKey of 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide?
The InChIKey is QCJMLIDOOXCQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2O2/c1-12-4(2-9)6(11)10-3-5(7)8/h4-5H,2-3,9H2,1H3,(H,10,11).
What are the key properties of 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide?
3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide has a molecular weight of 182.17 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoroethyl)-2-methoxypropanamide is sourced from PubChem (CID 106113404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).