8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol

C9H15F2NO2 — CID 123763131

IUPAC8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCN1CC(O)C(O)C(C(F)F)C12CC2
InChIInChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3
InChIKeyXDQDDBWIEPZFHJ-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.07
Rot. Bonds1

About 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol

8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 123763131) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
PubChem CID123763131
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol
SMILESCN1CC(O)C(O)C(C(F)F)C12CC2
InChIInChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3
InChIKeyXDQDDBWIEPZFHJ-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol (CID 123763131) is 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol is CN1CC(O)C(O)C(C(F)F)C12CC2.
What is the InChIKey of 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is XDQDDBWIEPZFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12-4-5(13)7(14)6(8(10)11)9(12)2-3-9/h5-8,13-14H,2-4H2,1H3.
What are the key properties of 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol?
8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 207.22 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-4-methyl-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 123763131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).