2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

C8H13BrF3NO — CID 60892724

IUPAC2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13BrF3NO/c1-5(2)6(9)7(14)13(3)4-8(10,11)12/h5-6H,4H2,1-3H3
InChIKeyDUTDOJRGRUEWPN-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.43
Rot. Bonds3

About 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide

2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60892724) has the molecular formula C8H13BrF3NO and a molecular weight of 276.10 g/mol. Its IUPAC name is 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60892724
Molecular FormulaC8H13BrF3NO
Molecular Weight276.10 g/mol
Exact Mass275.01
IUPAC Name2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C8H13BrF3NO/c1-5(2)6(9)7(14)13(3)4-8(10,11)12/h5-6H,4H2,1-3H3
InChIKeyDUTDOJRGRUEWPN-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.43
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,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 60892724) is 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)C(Br)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is DUTDOJRGRUEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO/c1-5(2)6(9)7(14)13(3)4-8(10,11)12/h5-6H,4H2,1-3H3.
What are the key properties of 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide?
2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 276.10 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60892724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).