2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane

C10H10F2O — CID 131145982

IUPAC2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
SMILESCc1cc(CC2CO2)c(F)cc1F
InChIInChI=1S/C10H10F2O/c1-6-2-7(3-8-5-13-8)10(12)4-9(6)11/h2,4,8H,3,5H2,1H3
InChIKeyWOBQUYAASKGVKR-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.21
Rot. Bonds2

About 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane

2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane (PubChem CID 131145982) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
PubChem CID131145982
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane
SMILESCc1cc(CC2CO2)c(F)cc1F
InChIInChI=1S/C10H10F2O/c1-6-2-7(3-8-5-13-8)10(12)4-9(6)11/h2,4,8H,3,5H2,1H3
InChIKeyWOBQUYAASKGVKR-UHFFFAOYSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.21
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 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane?
The IUPAC name of 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane (CID 131145982) is 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane?
The canonical SMILES for 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane is Cc1cc(CC2CO2)c(F)cc1F.
What is the InChIKey of 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane?
The InChIKey is WOBQUYAASKGVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-6-2-7(3-8-5-13-8)10(12)4-9(6)11/h2,4,8H,3,5H2,1H3.
What are the key properties of 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane?
2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane has a molecular weight of 184.18 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluoro-5-methylphenyl)methyl]oxirane is sourced from PubChem (CID 131145982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).