(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane

C13H13F3O2 — CID 88931519

IUPAC(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane
SMILESC=C(c1cccc(OC(F)(F)F)c1)[C@]1(CC)CO1
InChIInChI=1S/C13H13F3O2/c1-3-12(8-17-12)9(2)10-5-4-6-11(7-10)18-13(14,15)16/h4-7H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyATKSOUOWWQCDGQ-LBPRGKRZSA-N
MW258.24 g/mol
LogP3.78
Rot. Bonds4

About (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane

(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane (PubChem CID 88931519) has the molecular formula C13H13F3O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane.

Molecular Properties

Compound Name(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane
PubChem CID88931519
Molecular FormulaC13H13F3O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane
SMILESC=C(c1cccc(OC(F)(F)F)c1)[C@]1(CC)CO1
InChIInChI=1S/C13H13F3O2/c1-3-12(8-17-12)9(2)10-5-4-6-11(7-10)18-13(14,15)16/h4-7H,2-3,8H2,1H3/t12-/m0/s1
InChIKeyATKSOUOWWQCDGQ-LBPRGKRZSA-N
XLogP3.78
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 53.78
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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane?
The IUPAC name of (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane (CID 88931519) is (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane.
What is the SMILES notation for (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane?
The canonical SMILES for (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane is C=C(c1cccc(OC(F)(F)F)c1)[C@]1(CC)CO1.
What is the InChIKey of (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane?
The InChIKey is ATKSOUOWWQCDGQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13F3O2/c1-3-12(8-17-12)9(2)10-5-4-6-11(7-10)18-13(14,15)16/h4-7H,2-3,8H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane?
(2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane has a molecular weight of 258.24 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-[1-[3-(trifluoromethoxy)phenyl]ethenyl]oxirane is sourced from PubChem (CID 88931519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).