3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine

C6H11BrF3NO — CID 58019358

IUPAC3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(CCCOCBr)C(F)(F)F
InChIInChI=1S/C6H11BrF3NO/c1-11(6(8,9)10)3-2-4-12-5-7/h2-5H2,1H3
InChIKeyKXAFURIOIMDCQT-UHFFFAOYSA-N
MW250.06 g/mol
LogP2.20
Rot. Bonds5

About 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine

3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine (PubChem CID 58019358) has the molecular formula C6H11BrF3NO and a molecular weight of 250.06 g/mol. Its IUPAC name is 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
PubChem CID58019358
Molecular FormulaC6H11BrF3NO
Molecular Weight250.06 g/mol
Exact Mass249.00
IUPAC Name3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine
SMILESCN(CCCOCBr)C(F)(F)F
InChIInChI=1S/C6H11BrF3NO/c1-11(6(8,9)10)3-2-4-12-5-7/h2-5H2,1H3
InChIKeyKXAFURIOIMDCQT-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.06
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine (CID 58019358) is 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine is CN(CCCOCBr)C(F)(F)F.
What is the InChIKey of 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
The InChIKey is KXAFURIOIMDCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrF3NO/c1-11(6(8,9)10)3-2-4-12-5-7/h2-5H2,1H3.
What are the key properties of 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine?
3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine has a molecular weight of 250.06 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethoxy)-N-methyl-N-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 58019358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).