(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

C11H9Cl2F3O2 — CID 97179899

IUPAC(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESFC(F)(F)[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2F3O2/c12-6-1-2-9(13)8(3-6)10(11(14,15)16)18-5-7-4-17-7/h1-3,7,10H,4-5H2/t7-,10+/m1/s1
InChIKeyPWBYXZZAWFUOFM-XCBNKYQSSA-N
MW301.09 g/mol
LogP4.01
Rot. Bonds4

About (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (PubChem CID 97179899) has the molecular formula C11H9Cl2F3O2 and a molecular weight of 301.09 g/mol. Its IUPAC name is (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
PubChem CID97179899
Molecular FormulaC11H9Cl2F3O2
Molecular Weight301.09 g/mol
Exact Mass299.99
IUPAC Name(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESFC(F)(F)[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H9Cl2F3O2/c12-6-1-2-9(13)8(3-6)10(11(14,15)16)18-5-7-4-17-7/h1-3,7,10H,4-5H2/t7-,10+/m1/s1
InChIKeyPWBYXZZAWFUOFM-XCBNKYQSSA-N
XLogP4.01
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.09
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548141
2-[[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548175
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(2-methylphenyl)ethoxy]methyl]oxirane
CID 97179986
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethoxy]methyl]oxirane
CID 97179906
(2S)-2-[[(1S)-1-(2-bromophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179841
(2S)-2-[[(1S)-1-(3-chloro-4-methoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179821
2-[[2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]methyl]oxirane
CID 102548145
(2R)-2-[[(1R)-2,2,2-trifluoro-1-(3-fluorophenyl)ethoxy]methyl]oxirane
CID 97179832
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]methyl]oxirane
CID 97179834
(2R)-2-[[(1R)-2,2,2-trifluoro-1-(2,3,4-trimethoxyphenyl)ethoxy]methyl]oxirane
CID 97179868
(2S)-2-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179850
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179964

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (CID 97179899) is (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is FC(F)(F)[C@@H](OC[C@H]1CO1)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The InChIKey is PWBYXZZAWFUOFM-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H9Cl2F3O2/c12-6-1-2-9(13)8(3-6)10(11(14,15)16)18-5-7-4-17-7/h1-3,7,10H,4-5H2/t7-,10+/m1/s1.
What are the key properties of (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
(2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane has a molecular weight of 301.09 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S)-1-(2,5-dichlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is sourced from PubChem (CID 97179899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).