3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide

C7H12F3NO2 — CID 86650577

IUPAC3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,7(8,9)10)5(12)11(3)13-4/h1-4H3
InChIKeyATXIQVFUCBCAPS-UHFFFAOYSA-N
MW199.17 g/mol
LogP1.59
Rot. Bonds2

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

3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide (PubChem CID 86650577) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide
PubChem CID86650577
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide
SMILESCON(C)C(=O)C(C)(C)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-6(2,7(8,9)10)5(12)11(3)13-4/h1-4H3
InChIKeyATXIQVFUCBCAPS-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 51.59
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 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide (CID 86650577) is 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide is CON(C)C(=O)C(C)(C)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide?
The InChIKey is ATXIQVFUCBCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-6(2,7(8,9)10)5(12)11(3)13-4/h1-4H3.
What are the key properties of 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide?
3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide has a molecular weight of 199.17 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methoxy-N,2,2-trimethylpropanamide is sourced from PubChem (CID 86650577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).