N-(1,1-difluoro-2-methylpropan-2-yl)butanamide

C8H15F2NO — CID 167213696

IUPACN-(1,1-difluoro-2-methylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-6(12)11-8(2,3)7(9)10/h7H,4-5H2,1-3H3,(H,11,12)
InChIKeyWUNSMKXLMSZGOF-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.95
Rot. Bonds4

About N-(1,1-difluoro-2-methylpropan-2-yl)butanamide

N-(1,1-difluoro-2-methylpropan-2-yl)butanamide (PubChem CID 167213696) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(1,1-difluoro-2-methylpropan-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,1-difluoro-2-methylpropan-2-yl)butanamide
PubChem CID167213696
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(1,1-difluoro-2-methylpropan-2-yl)butanamide
SMILESCCCC(=O)NC(C)(C)C(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-6(12)11-8(2,3)7(9)10/h7H,4-5H2,1-3H3,(H,11,12)
InChIKeyWUNSMKXLMSZGOF-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 N-(1,1-difluoro-2-methylpropan-2-yl)butanamide?
The IUPAC name of N-(1,1-difluoro-2-methylpropan-2-yl)butanamide (CID 167213696) is N-(1,1-difluoro-2-methylpropan-2-yl)butanamide.
What is the SMILES notation for N-(1,1-difluoro-2-methylpropan-2-yl)butanamide?
The canonical SMILES for N-(1,1-difluoro-2-methylpropan-2-yl)butanamide is CCCC(=O)NC(C)(C)C(F)F.
What is the InChIKey of N-(1,1-difluoro-2-methylpropan-2-yl)butanamide?
The InChIKey is WUNSMKXLMSZGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-4-5-6(12)11-8(2,3)7(9)10/h7H,4-5H2,1-3H3,(H,11,12).
What are the key properties of N-(1,1-difluoro-2-methylpropan-2-yl)butanamide?
N-(1,1-difluoro-2-methylpropan-2-yl)butanamide 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 N-(1,1-difluoro-2-methylpropan-2-yl)butanamide is sourced from PubChem (CID 167213696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).