[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol

C9H14F2O — CID 155822045

IUPAC[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol
SMILESOC[C@@H]1CCCC[C@]12CC2(F)F
InChIInChI=1S/C9H14F2O/c10-9(11)6-8(9)4-2-1-3-7(8)5-12/h7,12H,1-6H2/t7-,8-/m0/s1
InChIKeyOHJWKXSNWHWPAX-YUMQZZPRSA-N
MW176.21 g/mol
LogP2.19
Rot. Bonds1

About [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol

[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol (PubChem CID 155822045) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol.

Molecular Properties

Compound Name[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol
PubChem CID155822045
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol
SMILESOC[C@@H]1CCCC[C@]12CC2(F)F
InChIInChI=1S/C9H14F2O/c10-9(11)6-8(9)4-2-1-3-7(8)5-12/h7,12H,1-6H2/t7-,8-/m0/s1
InChIKeyOHJWKXSNWHWPAX-YUMQZZPRSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol?
The IUPAC name of [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol (CID 155822045) is [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol.
What is the SMILES notation for [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol?
The canonical SMILES for [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol is OC[C@@H]1CCCC[C@]12CC2(F)F.
What is the InChIKey of [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol?
The InChIKey is OHJWKXSNWHWPAX-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H14F2O/c10-9(11)6-8(9)4-2-1-3-7(8)5-12/h7,12H,1-6H2/t7-,8-/m0/s1.
What are the key properties of [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol?
[(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol has a molecular weight of 176.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8R)-2,2-difluorospiro[2.5]octan-8-yl]methanol is sourced from PubChem (CID 155822045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).