2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide

C12H20F5NO — CID 170265595

IUPAC2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F5NO/c1-9(2,3)7(10(4,5)6)18-8(19)11(13,14)12(15,16)17/h7H,1-6H3,(H,18,19)
InChIKeyUBARDENWFYGVIA-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.76
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide

2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (PubChem CID 170265595) has the molecular formula C12H20F5NO and a molecular weight of 289.29 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
PubChem CID170265595
Molecular FormulaC12H20F5NO
Molecular Weight289.29 g/mol
Exact Mass289.15
IUPAC Name2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)C(F)(F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H20F5NO/c1-9(2,3)7(10(4,5)6)18-8(19)11(13,14)12(15,16)17/h7H,1-6H3,(H,18,19)
InChIKeyUBARDENWFYGVIA-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (CID 170265595) is 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is CC(C)(C)C(NC(=O)C(F)(F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The InChIKey is UBARDENWFYGVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F5NO/c1-9(2,3)7(10(4,5)6)18-8(19)11(13,14)12(15,16)17/h7H,1-6H3,(H,18,19).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide has a molecular weight of 289.29 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is sourced from PubChem (CID 170265595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).