2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide

C7H11F3N2O — CID 106523268

IUPAC2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(NC1CC1)(C(N)=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-6(5(11)13,7(8,9)10)12-4-2-3-4/h4,12H,2-3H2,1H3,(H2,11,13)
InChIKeyFYQSRGDTFIOQJF-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.54
Rot. Bonds3

About 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide

2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 106523268) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID106523268
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(NC1CC1)(C(N)=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c1-6(5(11)13,7(8,9)10)12-4-2-3-4/h4,12H,2-3H2,1H3,(H2,11,13)
InChIKeyFYQSRGDTFIOQJF-UHFFFAOYSA-N
XLogP0.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide (CID 106523268) is 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide is CC(NC1CC1)(C(N)=O)C(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is FYQSRGDTFIOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-6(5(11)13,7(8,9)10)12-4-2-3-4/h4,12H,2-3H2,1H3,(H2,11,13).
What are the key properties of 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide?
2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 196.17 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 106523268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).