3-fluoro-N-methoxy-N,2,2-trimethylpropanamide

C7H14FNO2 — CID 129050676

IUPAC3-fluoro-N-methoxy-N,2,2-trimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)CF
InChIInChI=1S/C7H14FNO2/c1-7(2,5-8)6(10)9(3)11-4/h5H2,1-4H3
InChIKeyIVPRPNZOQPXRBY-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.00
Rot. Bonds3

About 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide

3-fluoro-N-methoxy-N,2,2-trimethylpropanamide (PubChem CID 129050676) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-fluoro-N-methoxy-N,2,2-trimethylpropanamide
PubChem CID129050676
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name3-fluoro-N-methoxy-N,2,2-trimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)CF
InChIInChI=1S/C7H14FNO2/c1-7(2,5-8)6(10)9(3)11-4/h5H2,1-4H3
InChIKeyIVPRPNZOQPXRBY-UHFFFAOYSA-N
XLogP1.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.00
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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Related Compounds

N-Methoxy-N-methylpropionamide
CID 11344007
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
2-Fluoro-N-methoxy-N-methylacetamide
CID 11815852
N-Methoxy-N-methylpivalamide
CID 11446410
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methoxy-N,2-dimethylpropanamide
CID 10866371
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
3,3,3-Trifluoro-N-methoxy-N,2,2-trimethylpropanamide
CID 86650577
1-(fluoromethyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 89165040
2-fluoro-N-methoxy-N,2-dimethylpropanamide
CID 130164989
N-ethoxy-2,2-difluoro-N-methylpropanamide
CID 131200737
1-fluoro-N-methoxy-N-methylcyclopropanecarboxamide
CID 137407918

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide?
The IUPAC name of 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide (CID 129050676) is 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide is CON(C)C(=O)C(C)(C)CF.
What is the InChIKey of 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide?
The InChIKey is IVPRPNZOQPXRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-7(2,5-8)6(10)9(3)11-4/h5H2,1-4H3.
What are the key properties of 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide?
3-fluoro-N-methoxy-N,2,2-trimethylpropanamide has a molecular weight of 163.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxy-N,2,2-trimethylpropanamide is sourced from PubChem (CID 129050676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).