1-bromo-2-(difluoromethoxy)ethane

C3H5BrF2O — CID 84717573

IUPAC1-bromo-2-(difluoromethoxy)ethane
SMILESFC(F)OCCBr
InChIInChI=1S/C3H5BrF2O/c4-1-2-7-3(5)6/h3H,1-2H2
InChIKeyOCQUJZKDKBEBIN-UHFFFAOYSA-N
MW174.97 g/mol
LogP1.62
Rot. Bonds3

About 1-bromo-2-(difluoromethoxy)ethane

1-bromo-2-(difluoromethoxy)ethane (PubChem CID 84717573) has the molecular formula C3H5BrF2O and a molecular weight of 174.97 g/mol. Its IUPAC name is 1-bromo-2-(difluoromethoxy)ethane.

Molecular Properties

Compound Name1-bromo-2-(difluoromethoxy)ethane
PubChem CID84717573
Molecular FormulaC3H5BrF2O
Molecular Weight174.97 g/mol
Exact Mass173.95
IUPAC Name1-bromo-2-(difluoromethoxy)ethane
SMILESFC(F)OCCBr
InChIInChI=1S/C3H5BrF2O/c4-1-2-7-3(5)6/h3H,1-2H2
InChIKeyOCQUJZKDKBEBIN-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.97
LogP ≤ 51.62
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 1-bromo-2-(difluoromethoxy)ethane?
The IUPAC name of 1-bromo-2-(difluoromethoxy)ethane (CID 84717573) is 1-bromo-2-(difluoromethoxy)ethane.
What is the SMILES notation for 1-bromo-2-(difluoromethoxy)ethane?
The canonical SMILES for 1-bromo-2-(difluoromethoxy)ethane is FC(F)OCCBr.
What is the InChIKey of 1-bromo-2-(difluoromethoxy)ethane?
The InChIKey is OCQUJZKDKBEBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF2O/c4-1-2-7-3(5)6/h3H,1-2H2.
What are the key properties of 1-bromo-2-(difluoromethoxy)ethane?
1-bromo-2-(difluoromethoxy)ethane has a molecular weight of 174.97 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(difluoromethoxy)ethane is sourced from PubChem (CID 84717573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).