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

C12H22F3NO — CID 170266113

IUPAC3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-10(2,3)9(11(4,5)6)16-8(17)7-12(13,14)15/h9H,7H2,1-6H3,(H,16,17)
InChIKeyXDWLJJJMVPBZPK-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.52
Rot. Bonds2

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

3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (PubChem CID 170266113) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
PubChem CID170266113
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(C)(C)C(NC(=O)CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C12H22F3NO/c1-10(2,3)9(11(4,5)6)16-8(17)7-12(13,14)15/h9H,7H2,1-6H3,(H,16,17)
InChIKeyXDWLJJJMVPBZPK-UHFFFAOYSA-N
XLogP3.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (CID 170266113) is 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is CC(C)(C)C(NC(=O)CC(F)(F)F)C(C)(C)C.
What is the InChIKey of 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The InChIKey is XDWLJJJMVPBZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(2,3)9(11(4,5)6)16-8(17)7-12(13,14)15/h9H,7H2,1-6H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
3,3,3-trifluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide has a molecular weight of 253.31 g/mol, XLogP of 3.52, 2 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-(2,2,4,4-tetramethylpentan-3-yl)propanamide is sourced from PubChem (CID 170266113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).