1,2-dibromo-1-(trifluoromethoxy)ethane

C3H3Br2F3O — CID 154268972

IUPAC1,2-dibromo-1-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Br)CBr
InChIInChI=1S/C3H3Br2F3O/c4-1-2(5)9-3(6,7)8/h2H,1H2
InChIKeyROHMLZJLYYKFEP-UHFFFAOYSA-N
MW271.86 g/mol
LogP2.64
Rot. Bonds2

About 1,2-dibromo-1-(trifluoromethoxy)ethane

1,2-dibromo-1-(trifluoromethoxy)ethane (PubChem CID 154268972) has the molecular formula C3H3Br2F3O and a molecular weight of 271.86 g/mol. Its IUPAC name is 1,2-dibromo-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,2-dibromo-1-(trifluoromethoxy)ethane
PubChem CID154268972
Molecular FormulaC3H3Br2F3O
Molecular Weight271.86 g/mol
Exact Mass269.85
IUPAC Name1,2-dibromo-1-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Br)CBr
InChIInChI=1S/C3H3Br2F3O/c4-1-2(5)9-3(6,7)8/h2H,1H2
InChIKeyROHMLZJLYYKFEP-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 52.64
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 1,2-dibromo-1-(trifluoromethoxy)ethane?
The IUPAC name of 1,2-dibromo-1-(trifluoromethoxy)ethane (CID 154268972) is 1,2-dibromo-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,2-dibromo-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1,2-dibromo-1-(trifluoromethoxy)ethane is FC(F)(F)OC(Br)CBr.
What is the InChIKey of 1,2-dibromo-1-(trifluoromethoxy)ethane?
The InChIKey is ROHMLZJLYYKFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3Br2F3O/c4-1-2(5)9-3(6,7)8/h2H,1H2.
What are the key properties of 1,2-dibromo-1-(trifluoromethoxy)ethane?
1,2-dibromo-1-(trifluoromethoxy)ethane has a molecular weight of 271.86 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromo-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 154268972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).