(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane

C14H17F3O — CID 58026122

IUPAC(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane
SMILESCc1ccccc1C(C)(C)C[C@]1(C(F)(F)F)CO1
InChIInChI=1S/C14H17F3O/c1-10-6-4-5-7-11(10)12(2,3)8-13(9-18-13)14(15,16)17/h4-7H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyDGQKBNBZJPQRNQ-CYBMUJFWSA-N
MW258.28 g/mol
LogP3.99
Rot. Bonds3

About (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane

(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane (PubChem CID 58026122) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane
PubChem CID58026122
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane
SMILESCc1ccccc1C(C)(C)C[C@]1(C(F)(F)F)CO1
InChIInChI=1S/C14H17F3O/c1-10-6-4-5-7-11(10)12(2,3)8-13(9-18-13)14(15,16)17/h4-7H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyDGQKBNBZJPQRNQ-CYBMUJFWSA-N
XLogP3.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.99
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane?
The IUPAC name of (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane (CID 58026122) is (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane.
What is the SMILES notation for (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane?
The canonical SMILES for (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane is Cc1ccccc1C(C)(C)C[C@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane?
The InChIKey is DGQKBNBZJPQRNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17F3O/c1-10-6-4-5-7-11(10)12(2,3)8-13(9-18-13)14(15,16)17/h4-7H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane?
(2R)-2-[2-methyl-2-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane has a molecular weight of 258.28 g/mol, XLogP of 3.99, 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-(2-methylphenyl)propyl]-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 58026122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).