2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane

C6H8F2O — CID 11400794

IUPAC2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane
SMILESCC1(C(F)F)OC12CC2
InChIInChI=1S/C6H8F2O/c1-5(4(7)8)6(9-5)2-3-6/h4H,2-3H2,1H3
InChIKeyBCHXFDPRINRBRB-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.57
Rot. Bonds1

About 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane

2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane (PubChem CID 11400794) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane.

Molecular Properties

Compound Name2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane
PubChem CID11400794
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane
SMILESCC1(C(F)F)OC12CC2
InChIInChI=1S/C6H8F2O/c1-5(4(7)8)6(9-5)2-3-6/h4H,2-3H2,1H3
InChIKeyBCHXFDPRINRBRB-UHFFFAOYSA-N
XLogP1.57
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.57
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane?
The IUPAC name of 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane (CID 11400794) is 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane.
What is the SMILES notation for 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane?
The canonical SMILES for 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane is CC1(C(F)F)OC12CC2.
What is the InChIKey of 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane?
The InChIKey is BCHXFDPRINRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-5(4(7)8)6(9-5)2-3-6/h4H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane?
2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane has a molecular weight of 134.12 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2-methyl-1-oxaspiro[2.2]pentane is sourced from PubChem (CID 11400794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).