3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide

C6H7F6NO2 — CID 548349

IUPAC3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide
SMILESCON(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-13(15-2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyVUHANXQWZOUHQG-UHFFFAOYSA-N
MW239.12 g/mol
LogP1.75
Rot. Bonds2

About 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 548349) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID548349
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC Name3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide
SMILESCON(C)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO2/c1-13(15-2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3
InChIKeyVUHANXQWZOUHQG-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 51.75
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-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide (CID 548349) is 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide is CON(C)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is VUHANXQWZOUHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c1-13(15-2)4(14)3(5(7,8)9)6(10,11)12/h3H,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-methoxy-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 239.12 g/mol, XLogP of 1.75, 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-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 548349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).