(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane

C10H9F3O2 — CID 97180096

IUPAC(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
SMILESFc1cc(F)c(COC[C@H]2CO2)cc1F
InChIInChI=1S/C10H9F3O2/c11-8-2-10(13)9(12)1-6(8)3-14-4-7-5-15-7/h1-2,7H,3-5H2/t7-/m0/s1
InChIKeyFKWUCZCEERLORZ-ZETCQYMHSA-N
MW218.17 g/mol
LogP2.02
Rot. Bonds4

About (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane

(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane (PubChem CID 97180096) has the molecular formula C10H9F3O2 and a molecular weight of 218.17 g/mol. Its IUPAC name is (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
PubChem CID97180096
Molecular FormulaC10H9F3O2
Molecular Weight218.17 g/mol
Exact Mass218.06
IUPAC Name(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane
SMILESFc1cc(F)c(COC[C@H]2CO2)cc1F
InChIInChI=1S/C10H9F3O2/c11-8-2-10(13)9(12)1-6(8)3-14-4-7-5-15-7/h1-2,7H,3-5H2/t7-/m0/s1
InChIKeyFKWUCZCEERLORZ-ZETCQYMHSA-N
XLogP2.02
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane?
The IUPAC name of (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane (CID 97180096) is (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane?
The canonical SMILES for (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane is Fc1cc(F)c(COC[C@H]2CO2)cc1F.
What is the InChIKey of (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane?
The InChIKey is FKWUCZCEERLORZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H9F3O2/c11-8-2-10(13)9(12)1-6(8)3-14-4-7-5-15-7/h1-2,7H,3-5H2/t7-/m0/s1.
What are the key properties of (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane?
(2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane has a molecular weight of 218.17 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4,5-trifluorophenyl)methoxymethyl]oxirane is sourced from PubChem (CID 97180096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).