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

C9H16FNO2 — CID 118199308

IUPAC(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESC[C@H](F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C9H16FNO2/c1-5(10)7-8(13)6(12)4-11-9(7)2-3-9/h5-8,11-13H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyGQNJAHUKAIRMAM-OSMVPFSASA-N
MW189.23 g/mol
LogP-0.18
Rot. Bonds1

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

(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199308) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199308
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol
SMILESC[C@H](F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C9H16FNO2/c1-5(10)7-8(13)6(12)4-11-9(7)2-3-9/h5-8,11-13H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1
InChIKeyGQNJAHUKAIRMAM-OSMVPFSASA-N
XLogP-0.18
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
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-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol (CID 118199308) is (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol is C[C@H](F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is GQNJAHUKAIRMAM-OSMVPFSASA-N. The full InChI is InChI=1S/C9H16FNO2/c1-5(10)7-8(13)6(12)4-11-9(7)2-3-9/h5-8,11-13H,2-4H2,1H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 189.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R,8S)-8-[(1S)-1-fluoroethyl]-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).