2-[(4-fluoro-3-methylphenyl)methyl]oxirane

C10H11FO — CID 115410551

IUPAC2-[(4-fluoro-3-methylphenyl)methyl]oxirane
SMILESCc1cc(CC2CO2)ccc1F
InChIInChI=1S/C10H11FO/c1-7-4-8(2-3-10(7)11)5-9-6-12-9/h2-4,9H,5-6H2,1H3
InChIKeyGODATNLOVBIVNU-UHFFFAOYSA-N
MW166.19 g/mol
LogP2.08
Rot. Bonds2

About 2-[(4-fluoro-3-methylphenyl)methyl]oxirane

2-[(4-fluoro-3-methylphenyl)methyl]oxirane (PubChem CID 115410551) has the molecular formula C10H11FO and a molecular weight of 166.19 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methyl]oxirane
PubChem CID115410551
Molecular FormulaC10H11FO
Molecular Weight166.19 g/mol
Exact Mass166.08
IUPAC Name2-[(4-fluoro-3-methylphenyl)methyl]oxirane
SMILESCc1cc(CC2CO2)ccc1F
InChIInChI=1S/C10H11FO/c1-7-4-8(2-3-10(7)11)5-9-6-12-9/h2-4,9H,5-6H2,1H3
InChIKeyGODATNLOVBIVNU-UHFFFAOYSA-N
XLogP2.08
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.19
LogP ≤ 52.08
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-[(4-fluoro-3-methylphenyl)methyl]oxirane?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methyl]oxirane (CID 115410551) is 2-[(4-fluoro-3-methylphenyl)methyl]oxirane.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methyl]oxirane?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methyl]oxirane is Cc1cc(CC2CO2)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methyl]oxirane?
The InChIKey is GODATNLOVBIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO/c1-7-4-8(2-3-10(7)11)5-9-6-12-9/h2-4,9H,5-6H2,1H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methyl]oxirane?
2-[(4-fluoro-3-methylphenyl)methyl]oxirane has a molecular weight of 166.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methyl]oxirane is sourced from PubChem (CID 115410551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).