2-[(2,6-difluorophenyl)methyl]oxirane

C9H8F2O — CID 115410452

IUPAC2-[(2,6-difluorophenyl)methyl]oxirane
SMILESFc1cccc(F)c1CC1CO1
InChIInChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2
InChIKeyIJHWWBDGLRPXLL-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.91
Rot. Bonds2

About 2-[(2,6-difluorophenyl)methyl]oxirane

2-[(2,6-difluorophenyl)methyl]oxirane (PubChem CID 115410452) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methyl]oxirane.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methyl]oxirane
PubChem CID115410452
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2-[(2,6-difluorophenyl)methyl]oxirane
SMILESFc1cccc(F)c1CC1CO1
InChIInChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2
InChIKeyIJHWWBDGLRPXLL-UHFFFAOYSA-N
XLogP1.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.91
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-[(2,6-difluorophenyl)methyl]oxirane?
The IUPAC name of 2-[(2,6-difluorophenyl)methyl]oxirane (CID 115410452) is 2-[(2,6-difluorophenyl)methyl]oxirane.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methyl]oxirane?
The canonical SMILES for 2-[(2,6-difluorophenyl)methyl]oxirane is Fc1cccc(F)c1CC1CO1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methyl]oxirane?
The InChIKey is IJHWWBDGLRPXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-8-2-1-3-9(11)7(8)4-6-5-12-6/h1-3,6H,4-5H2.
What are the key properties of 2-[(2,6-difluorophenyl)methyl]oxirane?
2-[(2,6-difluorophenyl)methyl]oxirane has a molecular weight of 170.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methyl]oxirane is sourced from PubChem (CID 115410452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).