2,2-difluoro-N,N,4-trimethylpentanamide

C8H15F2NO — CID 59458822

IUPAC2,2-difluoro-N,N,4-trimethylpentanamide
SMILESCC(C)CC(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H15F2NO/c1-6(2)5-8(9,10)7(12)11(3)4/h6H,5H2,1-4H3
InChIKeyAKVYYPABXNDUPX-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.76
Rot. Bonds3

About 2,2-difluoro-N,N,4-trimethylpentanamide

2,2-difluoro-N,N,4-trimethylpentanamide (PubChem CID 59458822) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2,2-difluoro-N,N,4-trimethylpentanamide
PubChem CID59458822
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N,N,4-trimethylpentanamide
SMILESCC(C)CC(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H15F2NO/c1-6(2)5-8(9,10)7(12)11(3)4/h6H,5H2,1-4H3
InChIKeyAKVYYPABXNDUPX-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N,4-trimethylpentanamide?
The IUPAC name of 2,2-difluoro-N,N,4-trimethylpentanamide (CID 59458822) is 2,2-difluoro-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2,2-difluoro-N,N,4-trimethylpentanamide?
The canonical SMILES for 2,2-difluoro-N,N,4-trimethylpentanamide is CC(C)CC(F)(F)C(=O)N(C)C.
What is the InChIKey of 2,2-difluoro-N,N,4-trimethylpentanamide?
The InChIKey is AKVYYPABXNDUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)5-8(9,10)7(12)11(3)4/h6H,5H2,1-4H3.
What are the key properties of 2,2-difluoro-N,N,4-trimethylpentanamide?
2,2-difluoro-N,N,4-trimethylpentanamide has a molecular weight of 179.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N,4-trimethylpentanamide is sourced from PubChem (CID 59458822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).