1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane

C3HBrF6O — CID 2783379

IUPAC1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESFC(F)C(F)(Br)OC(F)(F)F
InChIInChI=1S/C3HBrF6O/c4-2(7,1(5)6)11-3(8,9)10/h1H
InChIKeyAWOMFEUKFYXKCV-UHFFFAOYSA-N
MW246.93 g/mol
LogP2.81
Rot. Bonds2

About 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane

1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane (PubChem CID 2783379) has the molecular formula C3HBrF6O and a molecular weight of 246.93 g/mol. Its IUPAC name is 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
PubChem CID2783379
Molecular FormulaC3HBrF6O
Molecular Weight246.93 g/mol
Exact Mass245.91
IUPAC Name1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESFC(F)C(F)(Br)OC(F)(F)F
InChIInChI=1S/C3HBrF6O/c4-2(7,1(5)6)11-3(8,9)10/h1H
InChIKeyAWOMFEUKFYXKCV-UHFFFAOYSA-N
XLogP2.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.93
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-Bromo-1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane
CID 91694741
1-Bromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
CID 2783380
2-Bromo-1,1,2-trifluoro-1-(trifluoromethoxy)ethane
CID 13058062
1-Bromo-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
CID 13058064
1-Bromo-1,2,2,2-tetrafluoro-1-(trifluoromethoxy)ethane
CID 13058065
2-Bromo-1-(difluoromethoxy)-1,1,2-trifluoroethane
CID 20374991
1-Bromo-2-(difluoromethoxy)-1,1,2-trifluoroethane
CID 21325444
1-Bromo-1-(difluoromethoxy)-1,2,2-trifluoroethane
CID 21325450
1-Bromo-1-deuterio-2-(difluoromethoxy)-1,2,2-trifluoroethane
CID 22808023
1-Bromo-1,1-difluoro-2-(trifluoromethoxy)ethane
CID 23160029
1-Bromo-1,1,2,2-tetrafluoro-2-(fluoromethoxy)ethane
CID 154065378
(2S)-1-bromo-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
CID 40786941

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The IUPAC name of 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane (CID 2783379) is 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane is FC(F)C(F)(Br)OC(F)(F)F.
What is the InChIKey of 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The InChIKey is AWOMFEUKFYXKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HBrF6O/c4-2(7,1(5)6)11-3(8,9)10/h1H.
What are the key properties of 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane has a molecular weight of 246.93 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 2783379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).