N-ethoxy-2,2-difluoro-N-methylpropanamide

C6H11F2NO2 — CID 131200737

IUPACN-ethoxy-2,2-difluoro-N-methylpropanamide
SMILESCCON(C)C(=O)C(C)(F)F
InChIInChI=1S/C6H11F2NO2/c1-4-11-9(3)5(10)6(2,7)8/h4H2,1-3H3
InChIKeyKURVVROFBNSDHY-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.05
Rot. Bonds3

About N-ethoxy-2,2-difluoro-N-methylpropanamide

N-ethoxy-2,2-difluoro-N-methylpropanamide (PubChem CID 131200737) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is N-ethoxy-2,2-difluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-ethoxy-2,2-difluoro-N-methylpropanamide
PubChem CID131200737
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC NameN-ethoxy-2,2-difluoro-N-methylpropanamide
SMILESCCON(C)C(=O)C(C)(F)F
InChIInChI=1S/C6H11F2NO2/c1-4-11-9(3)5(10)6(2,7)8/h4H2,1-3H3
InChIKeyKURVVROFBNSDHY-UHFFFAOYSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,2-difluoro-N-methylpropanamide?
The IUPAC name of N-ethoxy-2,2-difluoro-N-methylpropanamide (CID 131200737) is N-ethoxy-2,2-difluoro-N-methylpropanamide.
What is the SMILES notation for N-ethoxy-2,2-difluoro-N-methylpropanamide?
The canonical SMILES for N-ethoxy-2,2-difluoro-N-methylpropanamide is CCON(C)C(=O)C(C)(F)F.
What is the InChIKey of N-ethoxy-2,2-difluoro-N-methylpropanamide?
The InChIKey is KURVVROFBNSDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-4-11-9(3)5(10)6(2,7)8/h4H2,1-3H3.
What are the key properties of N-ethoxy-2,2-difluoro-N-methylpropanamide?
N-ethoxy-2,2-difluoro-N-methylpropanamide has a molecular weight of 167.15 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,2-difluoro-N-methylpropanamide is sourced from PubChem (CID 131200737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).