2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide

C8H15F2NO — CID 103515114

IUPAC2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)4-5-11(3)8(12)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyAOWVNTUSFHQMNV-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.76
Rot. Bonds4

About 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide

2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide (PubChem CID 103515114) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide
PubChem CID103515114
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCN(C)C(=O)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)4-5-11(3)8(12)7(9)10/h6-7H,4-5H2,1-3H3
InChIKeyAOWVNTUSFHQMNV-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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-methyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide (CID 103515114) is 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide is CC(C)CCN(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide?
The InChIKey is AOWVNTUSFHQMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)4-5-11(3)8(12)7(9)10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide?
2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide has a molecular weight of 179.21 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 103515114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).