N-butyl-2,2-difluoro-N-methylpropanamide

C8H15F2NO — CID 58122788

IUPACN-butyl-2,2-difluoro-N-methylpropanamide
SMILESCCCCN(C)C(=O)C(C)(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-6-11(3)7(12)8(2,9)10/h4-6H2,1-3H3
InChIKeyVQBRDXJIVYPZDU-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.90
Rot. Bonds4

About N-butyl-2,2-difluoro-N-methylpropanamide

N-butyl-2,2-difluoro-N-methylpropanamide (PubChem CID 58122788) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-butyl-2,2-difluoro-N-methylpropanamide.

Molecular Properties

Compound NameN-butyl-2,2-difluoro-N-methylpropanamide
PubChem CID58122788
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-butyl-2,2-difluoro-N-methylpropanamide
SMILESCCCCN(C)C(=O)C(C)(F)F
InChIInChI=1S/C8H15F2NO/c1-4-5-6-11(3)7(12)8(2,9)10/h4-6H2,1-3H3
InChIKeyVQBRDXJIVYPZDU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-difluoro-N-methylpropanamide?
The IUPAC name of N-butyl-2,2-difluoro-N-methylpropanamide (CID 58122788) is N-butyl-2,2-difluoro-N-methylpropanamide.
What is the SMILES notation for N-butyl-2,2-difluoro-N-methylpropanamide?
The canonical SMILES for N-butyl-2,2-difluoro-N-methylpropanamide is CCCCN(C)C(=O)C(C)(F)F.
What is the InChIKey of N-butyl-2,2-difluoro-N-methylpropanamide?
The InChIKey is VQBRDXJIVYPZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-4-5-6-11(3)7(12)8(2,9)10/h4-6H2,1-3H3.
What are the key properties of N-butyl-2,2-difluoro-N-methylpropanamide?
N-butyl-2,2-difluoro-N-methylpropanamide has a molecular weight of 179.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-difluoro-N-methylpropanamide is sourced from PubChem (CID 58122788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).