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

C9H15F2NO2 — CID 118197683

IUPAC(6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CC(F)F
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/t5-,6-,8-/m1/s1
InChIKeyQAWQTKDITYMSEA-ATRFCDNQSA-N
MW207.22 g/mol
LogP0.12
Rot. Bonds2

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

(6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197683) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197683
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name(6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CC(F)F
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/t5-,6-,8-/m1/s1
InChIKeyQAWQTKDITYMSEA-ATRFCDNQSA-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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Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197683) is (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CC(F)F.
What is the InChIKey of (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is QAWQTKDITYMSEA-ATRFCDNQSA-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/t5-,6-,8-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-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 (6R,7R,8S)-8-(2,2-difluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).