(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol

C9H14F2O2 — CID 162422511

IUPAC(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
SMILESOCC1CC2(CCC(F)(F)C2)CO1
InChIInChI=1S/C9H14F2O2/c10-9(11)2-1-8(5-9)3-7(4-12)13-6-8/h7,12H,1-6H2
InChIKeyNXONXPKLYALMFK-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.57
Rot. Bonds1

About (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol

(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol (PubChem CID 162422511) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol.

Molecular Properties

Compound Name(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
PubChem CID162422511
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol
SMILESOCC1CC2(CCC(F)(F)C2)CO1
InChIInChI=1S/C9H14F2O2/c10-9(11)2-1-8(5-9)3-7(4-12)13-6-8/h7,12H,1-6H2
InChIKeyNXONXPKLYALMFK-UHFFFAOYSA-N
XLogP1.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol?
The IUPAC name of (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol (CID 162422511) is (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol.
What is the SMILES notation for (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol?
The canonical SMILES for (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol is OCC1CC2(CCC(F)(F)C2)CO1.
What is the InChIKey of (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol?
The InChIKey is NXONXPKLYALMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-9(11)2-1-8(5-9)3-7(4-12)13-6-8/h7,12H,1-6H2.
What are the key properties of (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol?
(8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol has a molecular weight of 192.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-difluoro-2-oxaspiro[4.4]nonan-3-yl)methanol is sourced from PubChem (CID 162422511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).