8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol

C9H15F2NO2 — CID 118197686

IUPAC8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOC1CNC2(CC2)C(CC(F)F)C1O
InChIInChI=1S/C9H15F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h5-8,12-14H,1-4H2
InChIKeyQAWQTKDITYMSEA-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.12
Rot. Bonds2

About 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol

8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197686) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197686
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESOC1CNC2(CC2)C(CC(F)F)C1O
InChIInChI=1S/C9H15F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h5-8,12-14H,1-4H2
InChIKeyQAWQTKDITYMSEA-UHFFFAOYSA-N
XLogP0.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

US10081601, Example 3
CID 91810852
US8604206, (3R,4R,5S)-5-((R)-1-fluoropropyl)-piperidine-3,4-diol hydrochloride
CID 91824849
US10081601, Example 26
CID 118197603
US10081601, Example 25
CID 118197625
US10081601, Example 19
CID 118197628
US10081601, Example 4
CID 118197634
US10081601, Example 14
CID 118197680
US10081601, Example 15
CID 118197683
US10081601, Example 27
CID 118199314
US10081601, Example 28
CID 118199315
US9796680, Example 15
CID 126501551
US10081601, Example 8
CID 118197607

Frequently Asked Questions

What is the IUPAC name of 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197686) is 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is OC1CNC2(CC2)C(CC(F)F)C1O.
What is the InChIKey of 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is QAWQTKDITYMSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-7(11)3-5-8(14)6(13)4-12-9(5)1-2-9/h5-8,12-14H,1-4H2.
What are the key properties of 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 207.22 g/mol, XLogP of 0.12, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).