5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide

C8H12F3NO2 — CID 167446202

IUPAC5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide
SMILESCC(C=O)NC(=O)CCCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(5-13)12-7(14)3-2-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,14)
InChIKeyQTJWFFNMOLODCK-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.42
Rot. Bonds5

About 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide

5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide (PubChem CID 167446202) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide
PubChem CID167446202
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide
SMILESCC(C=O)NC(=O)CCCC(F)(F)F
InChIInChI=1S/C8H12F3NO2/c1-6(5-13)12-7(14)3-2-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,14)
InChIKeyQTJWFFNMOLODCK-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide?
The IUPAC name of 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide (CID 167446202) is 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide is CC(C=O)NC(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide?
The InChIKey is QTJWFFNMOLODCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-6(5-13)12-7(14)3-2-4-8(9,10)11/h5-6H,2-4H2,1H3,(H,12,14).
What are the key properties of 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide?
5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide has a molecular weight of 211.18 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(1-oxopropan-2-yl)pentanamide is sourced from PubChem (CID 167446202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).