2,2-difluorospiro[2.3]hexan-5-one

C6H6F2O — CID 146082145

IUPAC2,2-difluorospiro[2.3]hexan-5-one
SMILESO=C1CC2(C1)CC2(F)F
InChIInChI=1S/C6H6F2O/c7-6(8)3-5(6)1-4(9)2-5/h1-3H2
InChIKeyDOFBMXCLMFITBD-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.37
Rot. Bonds

About 2,2-difluorospiro[2.3]hexan-5-one

2,2-difluorospiro[2.3]hexan-5-one (PubChem CID 146082145) has the molecular formula C6H6F2O and a molecular weight of 132.11 g/mol. Its IUPAC name is 2,2-difluorospiro[2.3]hexan-5-one.

Molecular Properties

Compound Name2,2-difluorospiro[2.3]hexan-5-one
PubChem CID146082145
Molecular FormulaC6H6F2O
Molecular Weight132.11 g/mol
Exact Mass132.04
IUPAC Name2,2-difluorospiro[2.3]hexan-5-one
SMILESO=C1CC2(C1)CC2(F)F
InChIInChI=1S/C6H6F2O/c7-6(8)3-5(6)1-4(9)2-5/h1-3H2
InChIKeyDOFBMXCLMFITBD-UHFFFAOYSA-N
XLogP1.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Difluoro-1-methylcyclobutyl)ethan-1-one
CID 20614512
Spiro(2.3)hexan-5-one
CID 534204
1-[1-(Trifluoromethyl)cyclobutyl]ethanone
CID 58834326
1-[1-(Trifluoromethyl)cyclopropyl]propan-1-one
CID 67725840
1-(Trifluoromethyl)bicyclo[2.1.0]pentan-2-one
CID 68326369
CID 88574069
CID 88574069
1-(2,2-Difluoro-1-methylcyclopropyl)propan-1-one
CID 89701406
1-[1-(Difluoromethyl)cyclopropyl]propan-1-one
CID 121391930
1-(2,2-Difluoro-5-methylspiro[2.3]hexan-5-yl)ethanone
CID 144845084
1-[1-(1,1-Difluoroethyl)cyclopropyl]propan-2-one
CID 170393291
1-[1-(3,3,3-Trifluoropropyl)cyclopropyl]ethan-1-one
CID 106797236
1-(Trifluoromethyl)spiro[2.3]hexan-5-one
CID 155821350

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.3]hexan-5-one?
The IUPAC name of 2,2-difluorospiro[2.3]hexan-5-one (CID 146082145) is 2,2-difluorospiro[2.3]hexan-5-one.
What is the SMILES notation for 2,2-difluorospiro[2.3]hexan-5-one?
The canonical SMILES for 2,2-difluorospiro[2.3]hexan-5-one is O=C1CC2(C1)CC2(F)F.
What is the InChIKey of 2,2-difluorospiro[2.3]hexan-5-one?
The InChIKey is DOFBMXCLMFITBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2O/c7-6(8)3-5(6)1-4(9)2-5/h1-3H2.
What are the key properties of 2,2-difluorospiro[2.3]hexan-5-one?
2,2-difluorospiro[2.3]hexan-5-one has a molecular weight of 132.11 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.3]hexan-5-one is sourced from PubChem (CID 146082145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).