(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

C15H19F3O2 — CID 97179964

IUPAC(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESCC(C)(C)c1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O2/c1-14(2,3)11-6-4-10(5-7-11)13(15(16,17)18)20-9-12-8-19-12/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyVIGKPLYJWOOPRX-CHWSQXEVSA-N
MW288.31 g/mol
LogP4.00
Rot. Bonds4

About (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane

(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (PubChem CID 97179964) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
PubChem CID97179964
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
SMILESCC(C)(C)c1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1
InChIInChI=1S/C15H19F3O2/c1-14(2,3)11-6-4-10(5-7-11)13(15(16,17)18)20-9-12-8-19-12/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1
InChIKeyVIGKPLYJWOOPRX-CHWSQXEVSA-N
XLogP4.00
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.00
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

(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethoxy]methyl]oxirane
CID 97179834
(2R)-2-[[(1S)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethoxy]methyl]oxirane
CID 97179827
2-[[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548141
(2S)-2-[[(1R)-1-(4-bromophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 97179850
(2S)-2-[[(1R)-1-(4-tert-butylphenyl)ethoxy]methyl]oxirane
CID 97180279
(2S)-2-[[(1R)-2,2,2-trifluoro-1-(4-fluoro-3-methylphenyl)ethoxy]methyl]oxirane
CID 97179906
2-[[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548175
(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-(2-methylphenyl)ethoxy]methyl]oxirane
CID 97179986
2-[[1-(4-bromo-3,5-dimethoxyphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane
CID 102548181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The IUPAC name of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane (CID 97179964) is (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is CC(C)(C)c1ccc([C@@H](OC[C@H]2CO2)C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
The InChIKey is VIGKPLYJWOOPRX-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-14(2,3)11-6-4-10(5-7-11)13(15(16,17)18)20-9-12-8-19-12/h4-7,12-13H,8-9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane?
(2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane has a molecular weight of 288.31 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-tert-butylphenyl)-2,2,2-trifluoroethoxy]methyl]oxirane is sourced from PubChem (CID 97179964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).