(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol

C10H14FNO2 — CID 118197625

IUPAC(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C#CCF
InChIInChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1
InChIKeyVGBGTBVAHJMEJG-IWSPIJDZSA-N
MW199.22 g/mol
LogP-0.57
Rot. Bonds

About (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol

(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197625) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197625
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C#CCF
InChIInChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1
InChIKeyVGBGTBVAHJMEJG-IWSPIJDZSA-N
XLogP-0.57
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197625) is (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1C#CCF.
What is the InChIKey of (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is VGBGTBVAHJMEJG-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-5-1-2-7-9(14)8(13)6-12-10(7)3-4-10/h7-9,12-14H,3-6H2/t7-,8-,9-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 199.22 g/mol, XLogP of -0.57, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-(3-fluoroprop-1-ynyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).