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

C3HBrF6O — CID 51439994

IUPAC(1R)-1-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/t2-/m0/s1
InChIKeyAWOMFEUKFYXKCV-REOHCLBHSA-N
MW246.93 g/mol
LogP2.81
Rot. Bonds2

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

(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane (PubChem CID 51439994) has the molecular formula C3HBrF6O and a molecular weight of 246.93 g/mol. Its IUPAC name is (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name(1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane
PubChem CID51439994
Molecular FormulaC3HBrF6O
Molecular Weight246.93 g/mol
Exact Mass245.91
IUPAC Name(1R)-1-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/t2-/m0/s1
InChIKeyAWOMFEUKFYXKCV-REOHCLBHSA-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'}

Analyze (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
CID 171780319
1,1,1-trifluoro-2,2,2-tris(trifluoromethoxy)ethane
CID 140581421
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 12663045
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
CID 129405214
1-bromo-1-chloro-1-(difluoromethoxy)-2,2,2-trifluoroethane
CID 88618098
2-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 90262191
2-bromo-1,1-difluoro-2-methylpropane
CID 139401194
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
CID 18671047
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
CID 172837284
CID 172837284

Frequently Asked Questions

What is the IUPAC name of (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The IUPAC name of (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane (CID 51439994) is (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The canonical SMILES for (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane is FC(F)[C@@](F)(Br)OC(F)(F)F.
What is the InChIKey of (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
The InChIKey is AWOMFEUKFYXKCV-REOHCLBHSA-N. The full InChI is InChI=1S/C3HBrF6O/c4-2(7,1(5)6)11-3(8,9)10/h1H/t2-/m0/s1.
What are the key properties of (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane?
(1R)-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 (1R)-1-bromo-1,2,2-trifluoro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 51439994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).