(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane

C13H15F3O — CID 88933359

IUPAC(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane
SMILESCC(C)(C[C@]1(C(F)(F)F)CO1)c1ccccc1
InChIInChI=1S/C13H15F3O/c1-11(2,10-6-4-3-5-7-10)8-12(9-17-12)13(14,15)16/h3-7H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGWSAMFZWJRKRTR-GFCCVEGCSA-N
MW244.26 g/mol
LogP3.69
Rot. Bonds3

About (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane

(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane (PubChem CID 88933359) has the molecular formula C13H15F3O and a molecular weight of 244.26 g/mol. Its IUPAC name is (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane
PubChem CID88933359
Molecular FormulaC13H15F3O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane
SMILESCC(C)(C[C@]1(C(F)(F)F)CO1)c1ccccc1
InChIInChI=1S/C13H15F3O/c1-11(2,10-6-4-3-5-7-10)8-12(9-17-12)13(14,15)16/h3-7H,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGWSAMFZWJRKRTR-GFCCVEGCSA-N
XLogP3.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane
CID 58026122
1,1-difluoroethylbenzene
CID 10942535
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
iodo-tris(2-methyl-2-phenylpropyl)stannane
CID 12970290
Trineophyltin hydride
CID 6327208
CID 158792811
CID 158792811
2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
CID 106219295
phenyl-[(2R)-2-(trifluoromethyl)oxiran-2-yl]methanol
CID 12037703
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
chloro-methyl-(2-methyl-2-phenylpropyl)-[4-(trifluoromethyl)phenyl]stannane
CID 12697455
4-hydroxy-4,5-dimethyl-5-(2-methyl-2-phenylpropyl)-1,3-oxazolidin-2-one
CID 5295214

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane?
The IUPAC name of (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane (CID 88933359) is (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane.
What is the SMILES notation for (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane?
The canonical SMILES for (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane is CC(C)(C[C@]1(C(F)(F)F)CO1)c1ccccc1.
What is the InChIKey of (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane?
The InChIKey is GWSAMFZWJRKRTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15F3O/c1-11(2,10-6-4-3-5-7-10)8-12(9-17-12)13(14,15)16/h3-7H,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane?
(2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane has a molecular weight of 244.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-2-phenylpropyl)-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 88933359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).