[bromo(difluoro)methoxy]ethane

C3H5BrF2O — CID 54465123

IUPAC[bromo(difluoro)methoxy]ethane
SMILESCCOC(F)(F)Br
InChIInChI=1S/C3H5BrF2O/c1-2-7-3(4,5)6/h2H2,1H3
InChIKeyDLWZRKUYXRTUGS-UHFFFAOYSA-N
MW174.97 g/mol
LogP1.97
Rot. Bonds2

About [bromo(difluoro)methoxy]ethane

[bromo(difluoro)methoxy]ethane (PubChem CID 54465123) has the molecular formula C3H5BrF2O and a molecular weight of 174.97 g/mol. Its IUPAC name is [bromo(difluoro)methoxy]ethane.

Molecular Properties

Compound Name[bromo(difluoro)methoxy]ethane
PubChem CID54465123
Molecular FormulaC3H5BrF2O
Molecular Weight174.97 g/mol
Exact Mass173.95
IUPAC Name[bromo(difluoro)methoxy]ethane
SMILESCCOC(F)(F)Br
InChIInChI=1S/C3H5BrF2O/c1-2-7-3(4,5)6/h2H2,1H3
InChIKeyDLWZRKUYXRTUGS-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.97
LogP ≤ 51.97
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 [bromo(difluoro)methoxy]ethane?
The IUPAC name of [bromo(difluoro)methoxy]ethane (CID 54465123) is [bromo(difluoro)methoxy]ethane.
What is the SMILES notation for [bromo(difluoro)methoxy]ethane?
The canonical SMILES for [bromo(difluoro)methoxy]ethane is CCOC(F)(F)Br.
What is the InChIKey of [bromo(difluoro)methoxy]ethane?
The InChIKey is DLWZRKUYXRTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF2O/c1-2-7-3(4,5)6/h2H2,1H3.
What are the key properties of [bromo(difluoro)methoxy]ethane?
[bromo(difluoro)methoxy]ethane has a molecular weight of 174.97 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(difluoro)methoxy]ethane is sourced from PubChem (CID 54465123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).