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

C9H7F3O — CID 51347585

IUPAC(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane
SMILESFc1cc(F)c(C[C@@H]2CO2)cc1F
InChIInChI=1S/C9H7F3O/c10-7-3-9(12)8(11)2-5(7)1-6-4-13-6/h2-3,6H,1,4H2/t6-/m1/s1
InChIKeyBJVWCGAQMZQCGP-ZCFIWIBFSA-N
MW188.15 g/mol
LogP2.05
Rot. Bonds2

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

(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane (PubChem CID 51347585) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane
PubChem CID51347585
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane
SMILESFc1cc(F)c(C[C@@H]2CO2)cc1F
InChIInChI=1S/C9H7F3O/c10-7-3-9(12)8(11)2-5(7)1-6-4-13-6/h2-3,6H,1,4H2/t6-/m1/s1
InChIKeyBJVWCGAQMZQCGP-ZCFIWIBFSA-N
XLogP2.05
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)methyl]oxirane?
The IUPAC name of (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane (CID 51347585) is (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane.
What is the SMILES notation for (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane?
The canonical SMILES for (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane is Fc1cc(F)c(C[C@@H]2CO2)cc1F.
What is the InChIKey of (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane?
The InChIKey is BJVWCGAQMZQCGP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H7F3O/c10-7-3-9(12)8(11)2-5(7)1-6-4-13-6/h2-3,6H,1,4H2/t6-/m1/s1.
What are the key properties of (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane?
(2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane has a molecular weight of 188.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,4,5-trifluorophenyl)methyl]oxirane is sourced from PubChem (CID 51347585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).