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

C12H23F2NO — CID 167424946

IUPAC2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(F)(F)C(=O)NC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23F2NO/c1-10(2,3)8(11(4,5)6)15-9(16)12(7,13)14/h8H,1-7H3,(H,15,16)
InChIKeyXAXQUGPHHVVZSX-UHFFFAOYSA-N
MW235.32 g/mol
LogP3.22
Rot. Bonds2

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

2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (PubChem CID 167424946) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
PubChem CID167424946
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide
SMILESCC(F)(F)C(=O)NC(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H23F2NO/c1-10(2,3)8(11(4,5)6)15-9(16)12(7,13)14/h8H,1-7H3,(H,15,16)
InChIKeyXAXQUGPHHVVZSX-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The IUPAC name of 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide (CID 167424946) is 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide.
What is the SMILES notation for 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The canonical SMILES for 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is CC(F)(F)C(=O)NC(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
The InChIKey is XAXQUGPHHVVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-10(2,3)8(11(4,5)6)15-9(16)12(7,13)14/h8H,1-7H3,(H,15,16).
What are the key properties of 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide?
2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide has a molecular weight of 235.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2,2,4,4-tetramethylpentan-3-yl)propanamide is sourced from PubChem (CID 167424946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).