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

C9H16FNO2 — CID 118197680

IUPAC(6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CCF
InChIInChI=1S/C9H16FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h6-8,11-13H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyMVUMUMOZSPIRQJ-BWZBUEFSSA-N
MW189.23 g/mol
LogP-0.18
Rot. Bonds2

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

(6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118197680) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118197680
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESO[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CCF
InChIInChI=1S/C9H16FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h6-8,11-13H,1-5H2/t6-,7-,8-/m1/s1
InChIKeyMVUMUMOZSPIRQJ-BWZBUEFSSA-N
XLogP-0.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 5-0.18
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-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118197680) is (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is O[C@H]1[C@H](O)CNC2(CC2)[C@@H]1CCF.
What is the InChIKey of (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is MVUMUMOZSPIRQJ-BWZBUEFSSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-4-1-6-8(13)7(12)5-11-9(6)2-3-9/h6-8,11-13H,1-5H2/t6-,7-,8-/m1/s1.
What are the key properties of (6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(2-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 189.23 g/mol, XLogP of -0.18, 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-fluoroethyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118197680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).