2,2-difluoro-N-(2-methylpentan-2-yl)acetamide

C8H15F2NO — CID 103516044

IUPAC2,2-difluoro-N-(2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(C)NC(=O)C(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-8(2,3)11-7(12)6(9)10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyKKVCWTKQJHSHHA-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.95
Rot. Bonds4

About 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide

2,2-difluoro-N-(2-methylpentan-2-yl)acetamide (PubChem CID 103516044) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylpentan-2-yl)acetamide
PubChem CID103516044
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N-(2-methylpentan-2-yl)acetamide
SMILESCCCC(C)(C)NC(=O)C(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-8(2,3)11-7(12)6(9)10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyKKVCWTKQJHSHHA-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.95
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-methylpentan-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide (CID 103516044) is 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide is CCCC(C)(C)NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide?
The InChIKey is KKVCWTKQJHSHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-4-5-8(2,3)11-7(12)6(9)10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-(2-methylpentan-2-yl)acetamide?
2,2-difluoro-N-(2-methylpentan-2-yl)acetamide has a molecular weight of 179.21 g/mol, XLogP of 1.95, 4 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-methylpentan-2-yl)acetamide is sourced from PubChem (CID 103516044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).