2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide

C11H18BrF4NO — CID 11198458

IUPAC2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(F)(Br)C(F)(F)F
InChIInChI=1S/C11H18BrF4NO/c1-3-5-7-17(8-6-4-2)9(18)10(12,13)11(14,15)16/h3-8H2,1-2H3
InChIKeyDUZMZNQLMHLQBU-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.04
Rot. Bonds7

About 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide

2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide (PubChem CID 11198458) has the molecular formula C11H18BrF4NO and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide.

Molecular Properties

Compound Name2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide
PubChem CID11198458
Molecular FormulaC11H18BrF4NO
Molecular Weight336.17 g/mol
Exact Mass335.05
IUPAC Name2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(F)(Br)C(F)(F)F
InChIInChI=1S/C11H18BrF4NO/c1-3-5-7-17(8-6-4-2)9(18)10(12,13)11(14,15)16/h3-8H2,1-2H3
InChIKeyDUZMZNQLMHLQBU-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide?
The IUPAC name of 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide (CID 11198458) is 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide.
What is the SMILES notation for 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide?
The canonical SMILES for 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide is CCCCN(CCCC)C(=O)C(F)(Br)C(F)(F)F.
What is the InChIKey of 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide?
The InChIKey is DUZMZNQLMHLQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF4NO/c1-3-5-7-17(8-6-4-2)9(18)10(12,13)11(14,15)16/h3-8H2,1-2H3.
What are the key properties of 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide?
2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide has a molecular weight of 336.17 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-dibutyl-2,3,3,3-tetrafluoropropanamide is sourced from PubChem (CID 11198458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).