1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane

C3HBrClF5O — CID 154092852

IUPAC1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)OC(F)(F)C(F)(Cl)Br
InChIInChI=1S/C3HBrClF5O/c4-2(5,8)3(9,10)11-1(6)7/h1H
InChIKeyLEJQBKHOBYIZMF-UHFFFAOYSA-N
MW263.39 g/mol
LogP3.08
Rot. Bonds3

About 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane

1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane (PubChem CID 154092852) has the molecular formula C3HBrClF5O and a molecular weight of 263.39 g/mol. Its IUPAC name is 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
PubChem CID154092852
Molecular FormulaC3HBrClF5O
Molecular Weight263.39 g/mol
Exact Mass261.88
IUPAC Name1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane
SMILESFC(F)OC(F)(F)C(F)(Cl)Br
InChIInChI=1S/C3HBrClF5O/c4-2(5,8)3(9,10)11-1(6)7/h1H
InChIKeyLEJQBKHOBYIZMF-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 53.08
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-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane?
The IUPAC name of 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane (CID 154092852) is 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane.
What is the SMILES notation for 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane?
The canonical SMILES for 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane is FC(F)OC(F)(F)C(F)(Cl)Br.
What is the InChIKey of 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane?
The InChIKey is LEJQBKHOBYIZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrClF5O/c4-2(5,8)3(9,10)11-1(6)7/h1H.
What are the key properties of 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane?
1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane has a molecular weight of 263.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-2-(difluoromethoxy)-1,2,2-trifluoroethane is sourced from PubChem (CID 154092852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).