3-(bromomethoxy)-1,1,1-trifluoropropane

C4H6BrF3O — CID 59366616

IUPAC3-(bromomethoxy)-1,1,1-trifluoropropane
SMILESFC(F)(F)CCOCBr
InChIInChI=1S/C4H6BrF3O/c5-3-9-2-1-4(6,7)8/h1-3H2
InChIKeyOWZUCVUNOQXEQZ-UHFFFAOYSA-N
MW206.99 g/mol
LogP2.31
Rot. Bonds3

About 3-(bromomethoxy)-1,1,1-trifluoropropane

3-(bromomethoxy)-1,1,1-trifluoropropane (PubChem CID 59366616) has the molecular formula C4H6BrF3O and a molecular weight of 206.99 g/mol. Its IUPAC name is 3-(bromomethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-(bromomethoxy)-1,1,1-trifluoropropane
PubChem CID59366616
Molecular FormulaC4H6BrF3O
Molecular Weight206.99 g/mol
Exact Mass205.96
IUPAC Name3-(bromomethoxy)-1,1,1-trifluoropropane
SMILESFC(F)(F)CCOCBr
InChIInChI=1S/C4H6BrF3O/c5-3-9-2-1-4(6,7)8/h1-3H2
InChIKeyOWZUCVUNOQXEQZ-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.99
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 3-(bromomethoxy)-1,1,1-trifluoropropane (CID 59366616) is 3-(bromomethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 3-(bromomethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 3-(bromomethoxy)-1,1,1-trifluoropropane is FC(F)(F)CCOCBr.
What is the InChIKey of 3-(bromomethoxy)-1,1,1-trifluoropropane?
The InChIKey is OWZUCVUNOQXEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrF3O/c5-3-9-2-1-4(6,7)8/h1-3H2.
What are the key properties of 3-(bromomethoxy)-1,1,1-trifluoropropane?
3-(bromomethoxy)-1,1,1-trifluoropropane has a molecular weight of 206.99 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 59366616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).