3-(2,4-difluorophenyl)-2-methyloxiran-2-ol

C9H8F2O2 — CID 57033159

IUPAC3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
SMILESCC1(O)OC1c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-9(12)8(13-9)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3
InChIKeyVADMHIDBENVTKN-UHFFFAOYSA-N
MW186.16 g/mol
LogP1.74
Rot. Bonds1

About 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol

3-(2,4-difluorophenyl)-2-methyloxiran-2-ol (PubChem CID 57033159) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
PubChem CID57033159
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
SMILESCC1(O)OC1c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-9(12)8(13-9)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3
InChIKeyVADMHIDBENVTKN-UHFFFAOYSA-N
XLogP1.74
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol?
The IUPAC name of 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol (CID 57033159) is 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol.
What is the SMILES notation for 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol?
The canonical SMILES for 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol is CC1(O)OC1c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol?
The InChIKey is VADMHIDBENVTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-9(12)8(13-9)6-3-2-5(10)4-7(6)11/h2-4,8,12H,1H3.
What are the key properties of 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol?
3-(2,4-difluorophenyl)-2-methyloxiran-2-ol has a molecular weight of 186.16 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-2-methyloxiran-2-ol is sourced from PubChem (CID 57033159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).