2-(3,5-difluorophenyl)-2-methyloxirane

C9H8F2O — CID 46934014

IUPAC2-(3,5-difluorophenyl)-2-methyloxirane
SMILESCC1(c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C9H8F2O/c1-9(5-12-9)6-2-7(10)4-8(11)3-6/h2-4H,5H2,1H3
InChIKeyLSASSXTUMQPVPS-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.21
Rot. Bonds1

About 2-(3,5-difluorophenyl)-2-methyloxirane

2-(3,5-difluorophenyl)-2-methyloxirane (PubChem CID 46934014) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-methyloxirane
PubChem CID46934014
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name2-(3,5-difluorophenyl)-2-methyloxirane
SMILESCC1(c2cc(F)cc(F)c2)CO1
InChIInChI=1S/C9H8F2O/c1-9(5-12-9)6-2-7(10)4-8(11)3-6/h2-4H,5H2,1H3
InChIKeyLSASSXTUMQPVPS-UHFFFAOYSA-N
XLogP2.21
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
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-(3,5-difluorophenyl)-2-methyloxirane?
The IUPAC name of 2-(3,5-difluorophenyl)-2-methyloxirane (CID 46934014) is 2-(3,5-difluorophenyl)-2-methyloxirane.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-methyloxirane?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-methyloxirane is CC1(c2cc(F)cc(F)c2)CO1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-methyloxirane?
The InChIKey is LSASSXTUMQPVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-9(5-12-9)6-2-7(10)4-8(11)3-6/h2-4H,5H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-2-methyloxirane?
2-(3,5-difluorophenyl)-2-methyloxirane has a molecular weight of 170.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-methyloxirane is sourced from PubChem (CID 46934014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).