2-benzyl-2-fluorooxirane

C9H9FO — CID 15267174

IUPAC2-benzyl-2-fluorooxirane
SMILESFC1(Cc2ccccc2)CO1
InChIInChI=1S/C9H9FO/c10-9(7-11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCPRGNRRFDQNQKC-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.93
Rot. Bonds2

About 2-benzyl-2-fluorooxirane

2-benzyl-2-fluorooxirane (PubChem CID 15267174) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 2-benzyl-2-fluorooxirane.

Molecular Properties

Compound Name2-benzyl-2-fluorooxirane
PubChem CID15267174
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name2-benzyl-2-fluorooxirane
SMILESFC1(Cc2ccccc2)CO1
InChIInChI=1S/C9H9FO/c10-9(7-11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCPRGNRRFDQNQKC-UHFFFAOYSA-N
XLogP1.93
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.93
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-benzyl-2-fluorooxirane?
The IUPAC name of 2-benzyl-2-fluorooxirane (CID 15267174) is 2-benzyl-2-fluorooxirane.
What is the SMILES notation for 2-benzyl-2-fluorooxirane?
The canonical SMILES for 2-benzyl-2-fluorooxirane is FC1(Cc2ccccc2)CO1.
What is the InChIKey of 2-benzyl-2-fluorooxirane?
The InChIKey is CPRGNRRFDQNQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c10-9(7-11-9)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-benzyl-2-fluorooxirane?
2-benzyl-2-fluorooxirane has a molecular weight of 152.17 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-fluorooxirane is sourced from PubChem (CID 15267174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).