2,2-difluorospiro[2.5]octan-6-one

C8H10F2O — CID 90017183

IUPAC2,2-difluorospiro[2.5]octan-6-one
SMILESO=C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H10F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h1-5H2
InChIKeyRXGUBKPAVIABEV-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.15
Rot. Bonds

About 2,2-difluorospiro[2.5]octan-6-one

2,2-difluorospiro[2.5]octan-6-one (PubChem CID 90017183) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 2,2-difluorospiro[2.5]octan-6-one.

Molecular Properties

Compound Name2,2-difluorospiro[2.5]octan-6-one
PubChem CID90017183
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name2,2-difluorospiro[2.5]octan-6-one
SMILESO=C1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H10F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h1-5H2
InChIKeyRXGUBKPAVIABEV-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.5]octan-6-one?
The IUPAC name of 2,2-difluorospiro[2.5]octan-6-one (CID 90017183) is 2,2-difluorospiro[2.5]octan-6-one.
What is the SMILES notation for 2,2-difluorospiro[2.5]octan-6-one?
The canonical SMILES for 2,2-difluorospiro[2.5]octan-6-one is O=C1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2,2-difluorospiro[2.5]octan-6-one?
The InChIKey is RXGUBKPAVIABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h1-5H2.
What are the key properties of 2,2-difluorospiro[2.5]octan-6-one?
2,2-difluorospiro[2.5]octan-6-one has a molecular weight of 160.16 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.5]octan-6-one is sourced from PubChem (CID 90017183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).