2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane

C13H12Cl2F2O — CID 121281189

IUPAC2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane
SMILESFC1(F)CCC2(CC1)OC2c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2F2O/c14-9-3-1-2-8(10(9)15)11-12(18-11)4-6-13(16,17)7-5-12/h1-3,11H,4-7H2
InChIKeyAXGUOIOTONQRCX-UHFFFAOYSA-N
MW293.14 g/mol
LogP5.01
Rot. Bonds1

About 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane

2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane (PubChem CID 121281189) has the molecular formula C13H12Cl2F2O and a molecular weight of 293.14 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane
PubChem CID121281189
Molecular FormulaC13H12Cl2F2O
Molecular Weight293.14 g/mol
Exact Mass292.02
IUPAC Name2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane
SMILESFC1(F)CCC2(CC1)OC2c1cccc(Cl)c1Cl
InChIInChI=1S/C13H12Cl2F2O/c14-9-3-1-2-8(10(9)15)11-12(18-11)4-6-13(16,17)7-5-12/h1-3,11H,4-7H2
InChIKeyAXGUOIOTONQRCX-UHFFFAOYSA-N
XLogP5.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.14
LogP ≤ 55.01
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-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane?
The IUPAC name of 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane (CID 121281189) is 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane?
The canonical SMILES for 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane is FC1(F)CCC2(CC1)OC2c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane?
The InChIKey is AXGUOIOTONQRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2F2O/c14-9-3-1-2-8(10(9)15)11-12(18-11)4-6-13(16,17)7-5-12/h1-3,11H,4-7H2.
What are the key properties of 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane?
2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane has a molecular weight of 293.14 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-6,6-difluoro-1-oxaspiro[2.5]octane is sourced from PubChem (CID 121281189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).