4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide

C16H30F3NO — CID 160824695

IUPAC4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide
SMILESCC(C)(C)CCCC(NC(=O)CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H30F3NO/c1-14(2,3)10-7-8-12(15(4,5)6)20-13(21)9-11-16(17,18)19/h12H,7-11H2,1-6H3,(H,20,21)
InChIKeySFZRRVXOWNGUHL-UHFFFAOYSA-N
MW309.42 g/mol
LogP5.08
Rot. Bonds6

About 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide

4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide (PubChem CID 160824695) has the molecular formula C16H30F3NO and a molecular weight of 309.42 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide
PubChem CID160824695
Molecular FormulaC16H30F3NO
Molecular Weight309.42 g/mol
Exact Mass309.23
IUPAC Name4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide
SMILESCC(C)(C)CCCC(NC(=O)CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H30F3NO/c1-14(2,3)10-7-8-12(15(4,5)6)20-13(21)9-11-16(17,18)19/h12H,7-11H2,1-6H3,(H,20,21)
InChIKeySFZRRVXOWNGUHL-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide (CID 160824695) is 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide is CC(C)(C)CCCC(NC(=O)CCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide?
The InChIKey is SFZRRVXOWNGUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F3NO/c1-14(2,3)10-7-8-12(15(4,5)6)20-13(21)9-11-16(17,18)19/h12H,7-11H2,1-6H3,(H,20,21).
What are the key properties of 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide?
4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide has a molecular weight of 309.42 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)butanamide is sourced from PubChem (CID 160824695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).