(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane

C5H5BrClF3O — CID 7145783

IUPAC(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
SMILESFC(F)(Br)[C@](F)(Cl)C[C@H]1CO1
InChIInChI=1S/C5H5BrClF3O/c6-5(9,10)4(7,8)1-3-2-11-3/h3H,1-2H2/t3-,4-/m0/s1
InChIKeyUCZRRFGLOXGSDP-IMJSIDKUSA-N
MW253.44 g/mol
LogP2.67
Rot. Bonds3

About (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane

(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane (PubChem CID 7145783) has the molecular formula C5H5BrClF3O and a molecular weight of 253.44 g/mol. Its IUPAC name is (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
PubChem CID7145783
Molecular FormulaC5H5BrClF3O
Molecular Weight253.44 g/mol
Exact Mass251.92
IUPAC Name(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane
SMILESFC(F)(Br)[C@](F)(Cl)C[C@H]1CO1
InChIInChI=1S/C5H5BrClF3O/c6-5(9,10)4(7,8)1-3-2-11-3/h3H,1-2H2/t3-,4-/m0/s1
InChIKeyUCZRRFGLOXGSDP-IMJSIDKUSA-N
XLogP2.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane 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-(2,2,2-trifluoroethyl)oxirane
CID 2782635
(2R)-2-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)oxirane
CID 89213921
2-(2,2-dichlorobutyl)oxirane
CID 91466713
2-[2,2,4,4,4-pentafluoro-3-(trifluoromethyl)butyl]oxirane
CID 58659971
2-(2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-3-methylnonyl)oxirane
CID 19707572
(2R)-2-(2,2-dimethylpropyl)oxirane
CID 15053925
(2R)-1-bromo-2-chloro-1,1,2-trifluorobutane
CID 95757021
(2S)-2-[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propyl]oxirane
CID 40501241
(2R)-1,4-dibromo-2-chloro-1,1,2-trifluorobutane
CID 86308801
2-(2,2,3,3,4,5,5,5-octachloro-4-methylpentyl)oxirane
CID 19688989
2-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)oxirane
CID 173040236
2-(chloro(113C)methyl)(2,3-13C2)oxirane
CID 76973011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane?
The IUPAC name of (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane (CID 7145783) is (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane.
What is the SMILES notation for (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane?
The canonical SMILES for (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane is FC(F)(Br)[C@](F)(Cl)C[C@H]1CO1.
What is the InChIKey of (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane?
The InChIKey is UCZRRFGLOXGSDP-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H5BrClF3O/c6-5(9,10)4(7,8)1-3-2-11-3/h3H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane?
(2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane has a molecular weight of 253.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-3-bromo-2-chloro-2,3,3-trifluoropropyl]oxirane is sourced from PubChem (CID 7145783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).