2-bromo-1,1-difluoro-1-methoxyethane

C3H5BrF2O — CID 101028395

IUPAC2-bromo-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)CBr
InChIInChI=1S/C3H5BrF2O/c1-7-3(5,6)2-4/h2H2,1H3
InChIKeyLVWDNJIGMDQHRM-UHFFFAOYSA-N
MW174.97 g/mol
LogP1.62
Rot. Bonds2

About 2-bromo-1,1-difluoro-1-methoxyethane

2-bromo-1,1-difluoro-1-methoxyethane (PubChem CID 101028395) has the molecular formula C3H5BrF2O and a molecular weight of 174.97 g/mol. Its IUPAC name is 2-bromo-1,1-difluoro-1-methoxyethane.

Molecular Properties

Compound Name2-bromo-1,1-difluoro-1-methoxyethane
PubChem CID101028395
Molecular FormulaC3H5BrF2O
Molecular Weight174.97 g/mol
Exact Mass173.95
IUPAC Name2-bromo-1,1-difluoro-1-methoxyethane
SMILESCOC(F)(F)CBr
InChIInChI=1S/C3H5BrF2O/c1-7-3(5,6)2-4/h2H2,1H3
InChIKeyLVWDNJIGMDQHRM-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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 2-bromo-1,1-difluoro-1-methoxyethane?
The IUPAC name of 2-bromo-1,1-difluoro-1-methoxyethane (CID 101028395) is 2-bromo-1,1-difluoro-1-methoxyethane.
What is the SMILES notation for 2-bromo-1,1-difluoro-1-methoxyethane?
The canonical SMILES for 2-bromo-1,1-difluoro-1-methoxyethane is COC(F)(F)CBr.
What is the InChIKey of 2-bromo-1,1-difluoro-1-methoxyethane?
The InChIKey is LVWDNJIGMDQHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5BrF2O/c1-7-3(5,6)2-4/h2H2,1H3.
What are the key properties of 2-bromo-1,1-difluoro-1-methoxyethane?
2-bromo-1,1-difluoro-1-methoxyethane has a molecular weight of 174.97 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-difluoro-1-methoxyethane is sourced from PubChem (CID 101028395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).