3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide

C15H28F3NO — CID 90347365

IUPAC3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
SMILESCC(C)(C)CCCC(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H28F3NO/c1-13(2,3)9-7-8-11(14(4,5)6)19-12(20)10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20)
InChIKeyWYSSYXLPSRHLGD-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.69
Rot. Bonds5

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

3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide (PubChem CID 90347365) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
PubChem CID90347365
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
SMILESCC(C)(C)CCCC(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H28F3NO/c1-13(2,3)9-7-8-11(14(4,5)6)19-12(20)10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20)
InChIKeyWYSSYXLPSRHLGD-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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Related Compounds

N-(2,2,7,7-tetramethyloctan-3-yl)propanamide
CID 90347364
2-methylsulfonyl-N-(2,2,6,6-tetramethylheptan-3-yl)acetamide
CID 90347351
2-methyl-N-(2,2,6,6-tetramethylheptan-3-yl)propanamide
CID 90347352
2,2-dimethylheptan-3-ylcarbamic acid
CID 175434707
N-[(3S)-7-[[2-(2-methoxyethoxy)acetyl]amino]-2,2-dimethylheptan-3-yl]-7,7-dimethyloctanamide
CID 164831434
6-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-4,4-dimethylhexanamide
CID 106350089
2,2-diethyl-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-4-oxobutanoic acid
CID 106348531
3,3,3-trifluoro-N-(3-oxopentan-2-yl)propanamide
CID 64997000
N-(2,7,7-trimethyloctan-3-yl)acetamide
CID 144535595
2-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)acetamide
CID 106349960
N-(1-amino-4,4-dimethylpentan-3-yl)-4-methoxybutanamide
CID 106357033
(2R)-4-hydroxy-2-(3,3,3-trifluoropropanoylamino)butanoic acid
CID 107822678

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide (CID 90347365) is 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide is CC(C)(C)CCCC(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
The InChIKey is WYSSYXLPSRHLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-13(2,3)9-7-8-11(14(4,5)6)19-12(20)10-15(16,17)18/h11H,7-10H2,1-6H3,(H,19,20).
What are the key properties of 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide?
3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide 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 3,3,3-trifluoro-N-(2,2,7,7-tetramethyloctan-3-yl)propanamide is sourced from PubChem (CID 90347365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).