N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide

C8H12F3NO2 — CID 88918677

IUPACN-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide
SMILESCC(=O)NC(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C8H12F3NO2/c1-5(13)7(12-6(2)14)3-4-8(9,10)11/h7H,3-4H2,1-2H3,(H,12,14)
InChIKeyASSITYDRNKDBHS-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.42
Rot. Bonds4

About N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide

N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide (PubChem CID 88918677) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide.

Molecular Properties

Compound NameN-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide
PubChem CID88918677
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC NameN-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide
SMILESCC(=O)NC(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C8H12F3NO2/c1-5(13)7(12-6(2)14)3-4-8(9,10)11/h7H,3-4H2,1-2H3,(H,12,14)
InChIKeyASSITYDRNKDBHS-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide?
The IUPAC name of N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide (CID 88918677) is N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide.
What is the SMILES notation for N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide?
The canonical SMILES for N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide is CC(=O)NC(CCC(F)(F)F)C(C)=O.
What is the InChIKey of N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide?
The InChIKey is ASSITYDRNKDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(13)7(12-6(2)14)3-4-8(9,10)11/h7H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide?
N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide has a molecular weight of 211.18 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluoro-2-oxohexan-3-yl)acetamide is sourced from PubChem (CID 88918677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).