2,2-difluoro-N-methoxypropanamide

C4H7F2NO2 — CID 71302388

IUPAC2,2-difluoro-N-methoxypropanamide
SMILESCONC(=O)C(C)(F)F
InChIInChI=1S/C4H7F2NO2/c1-4(5,6)3(8)7-9-2/h1-2H3,(H,7,8)
InChIKeyFRCYHRODADXBSH-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.32
Rot. Bonds2

About 2,2-difluoro-N-methoxypropanamide

2,2-difluoro-N-methoxypropanamide (PubChem CID 71302388) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxypropanamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxypropanamide
PubChem CID71302388
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name2,2-difluoro-N-methoxypropanamide
SMILESCONC(=O)C(C)(F)F
InChIInChI=1S/C4H7F2NO2/c1-4(5,6)3(8)7-9-2/h1-2H3,(H,7,8)
InChIKeyFRCYHRODADXBSH-UHFFFAOYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxytrifluoracetamide
CID 62492180
N-ethoxy-2,2,2-trifluoroacetamide
CID 62492516
3,3,3-trifluoro-N-hydroxy-2-methylpropanamide
CID 22287384
N-(2,2,2-trifluoroethoxy)propanamide
CID 81339817
N-(difluoromethoxy)propanamide
CID 87581787
2,2,4,4,4-pentafluoro-N-methoxybutanamide
CID 89183263
2,2-difluoro-N-methoxyacetamide
CID 103515761
N-ethoxy-2,2-difluoroacetamide
CID 103610610
N-(2,2-difluoroethoxy)acetamide
CID 130471289
3,3-difluoro-N-hydroxy-2,2-dimethylpropanamide
CID 130676772
N-(2,2-difluoroethoxy)propanamide
CID 131155465
N-(2,2-difluoroethoxy)-2-methylpropanamide
CID 131208584

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxypropanamide?
The IUPAC name of 2,2-difluoro-N-methoxypropanamide (CID 71302388) is 2,2-difluoro-N-methoxypropanamide.
What is the SMILES notation for 2,2-difluoro-N-methoxypropanamide?
The canonical SMILES for 2,2-difluoro-N-methoxypropanamide is CONC(=O)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methoxypropanamide?
The InChIKey is FRCYHRODADXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c1-4(5,6)3(8)7-9-2/h1-2H3,(H,7,8).
What are the key properties of 2,2-difluoro-N-methoxypropanamide?
2,2-difluoro-N-methoxypropanamide has a molecular weight of 139.10 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxypropanamide is sourced from PubChem (CID 71302388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).