4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide

C15H28F3NO — CID 157305936

IUPAC4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide
SMILESCC(C)(C)CCC(NC(=O)CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H28F3NO/c1-13(2,3)9-7-11(14(4,5)6)19-12(20)8-10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20)
InChIKeyBCLVNBXNGDAWPG-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.69
Rot. Bonds5

About 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide

4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide (PubChem CID 157305936) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide
PubChem CID157305936
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide
SMILESCC(C)(C)CCC(NC(=O)CCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H28F3NO/c1-13(2,3)9-7-11(14(4,5)6)19-12(20)8-10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20)
InChIKeyBCLVNBXNGDAWPG-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.69
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-(2,2,6,6-tetramethylheptan-3-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide (CID 157305936) is 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide is CC(C)(C)CCC(NC(=O)CCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide?
The InChIKey is BCLVNBXNGDAWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-13(2,3)9-7-11(14(4,5)6)19-12(20)8-10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20).
What are the key properties of 4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide?
4,4,4-trifluoro-N-(2,2,6,6-tetramethylheptan-3-yl)butanamide has a molecular weight of 295.39 g/mol, XLogP of 4.69, 5 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-(2,2,6,6-tetramethylheptan-3-yl)butanamide is sourced from PubChem (CID 157305936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).