2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide

C11H18Br2F3NO — CID 11165399

IUPAC2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(Br)(Br)C(F)(F)F
InChIInChI=1S/C11H18Br2F3NO/c1-3-5-7-17(8-6-4-2)9(18)10(12,13)11(14,15)16/h3-8H2,1-2H3
InChIKeyJOTKHTSBQGUVOI-UHFFFAOYSA-N
MW397.07 g/mol
LogP4.46
Rot. Bonds7

About 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide

2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide (PubChem CID 11165399) has the molecular formula C11H18Br2F3NO and a molecular weight of 397.07 g/mol. Its IUPAC name is 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide
PubChem CID11165399
Molecular FormulaC11H18Br2F3NO
Molecular Weight397.07 g/mol
Exact Mass394.97
IUPAC Name2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide
SMILESCCCCN(CCCC)C(=O)C(Br)(Br)C(F)(F)F
InChIInChI=1S/C11H18Br2F3NO/c1-3-5-7-17(8-6-4-2)9(18)10(12,13)11(14,15)16/h3-8H2,1-2H3
InChIKeyJOTKHTSBQGUVOI-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 54.46
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 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide?
The IUPAC name of 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide (CID 11165399) is 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide?
The canonical SMILES for 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide is CCCCN(CCCC)C(=O)C(Br)(Br)C(F)(F)F.
What is the InChIKey of 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide?
The InChIKey is JOTKHTSBQGUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Br2F3NO/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 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide?
2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide has a molecular weight of 397.07 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromo-N,N-dibutyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 11165399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).