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

C8H12F2O — CID 91811063

IUPAC2,2-difluorospiro[2.5]octan-6-ol
SMILESOC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H12F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h6,11H,1-5H2
InChIKeyPJAVWOUBJZRJEW-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.95
Rot. Bonds

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

2,2-difluorospiro[2.5]octan-6-ol (PubChem CID 91811063) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 2,2-difluorospiro[2.5]octan-6-ol.

Molecular Properties

Compound Name2,2-difluorospiro[2.5]octan-6-ol
PubChem CID91811063
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name2,2-difluorospiro[2.5]octan-6-ol
SMILESOC1CCC2(CC1)CC2(F)F
InChIInChI=1S/C8H12F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h6,11H,1-5H2
InChIKeyPJAVWOUBJZRJEW-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[2.5]octan-6-ol?
The IUPAC name of 2,2-difluorospiro[2.5]octan-6-ol (CID 91811063) is 2,2-difluorospiro[2.5]octan-6-ol.
What is the SMILES notation for 2,2-difluorospiro[2.5]octan-6-ol?
The canonical SMILES for 2,2-difluorospiro[2.5]octan-6-ol is OC1CCC2(CC1)CC2(F)F.
What is the InChIKey of 2,2-difluorospiro[2.5]octan-6-ol?
The InChIKey is PJAVWOUBJZRJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c9-8(10)5-7(8)3-1-6(11)2-4-7/h6,11H,1-5H2.
What are the key properties of 2,2-difluorospiro[2.5]octan-6-ol?
2,2-difluorospiro[2.5]octan-6-ol has a molecular weight of 162.18 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[2.5]octan-6-ol is sourced from PubChem (CID 91811063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).