4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide

C7H11F3N2O2 — CID 147579699

IUPAC4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide
SMILESCCCNC(CC(=O)N=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-2-3-11-5(7(8,9)10)4-6(13)12-14/h5,11H,2-4H2,1H3
InChIKeyFWDYRZZXQQVDOK-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.60
Rot. Bonds5

About 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide

4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide (PubChem CID 147579699) has the molecular formula C7H11F3N2O2 and a molecular weight of 212.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide
PubChem CID147579699
Molecular FormulaC7H11F3N2O2
Molecular Weight212.17 g/mol
Exact Mass212.08
IUPAC Name4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide
SMILESCCCNC(CC(=O)N=O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O2/c1-2-3-11-5(7(8,9)10)4-6(13)12-14/h5,11H,2-4H2,1H3
InChIKeyFWDYRZZXQQVDOK-UHFFFAOYSA-N
XLogP1.60
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide (CID 147579699) is 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide is CCCNC(CC(=O)N=O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide?
The InChIKey is FWDYRZZXQQVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O2/c1-2-3-11-5(7(8,9)10)4-6(13)12-14/h5,11H,2-4H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide?
4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide has a molecular weight of 212.17 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-oxo-3-(propylamino)butanamide is sourced from PubChem (CID 147579699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).