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

C10H18FNO2 — CID 118199650

IUPAC(6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESCCC(F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H18FNO2/c1-2-6(11)8-9(14)7(13)5-12-10(8)3-4-10/h6-9,12-14H,2-5H2,1H3/t6?,7-,8-,9+/m1/s1
InChIKeyQMXWLZGSIKPJEW-GXIMGVEYSA-N
MW203.26 g/mol
LogP0.21
Rot. Bonds2

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

(6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol (PubChem CID 118199650) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol.

Molecular Properties

Compound Name(6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol
PubChem CID118199650
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name(6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol
SMILESCCC(F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2
InChIInChI=1S/C10H18FNO2/c1-2-6(11)8-9(14)7(13)5-12-10(8)3-4-10/h6-9,12-14H,2-5H2,1H3/t6?,7-,8-,9+/m1/s1
InChIKeyQMXWLZGSIKPJEW-GXIMGVEYSA-N
XLogP0.21
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.21
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-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol?
The IUPAC name of (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol (CID 118199650) is (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol.
What is the SMILES notation for (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol?
The canonical SMILES for (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol is CCC(F)[C@@H]1[C@@H](O)[C@H](O)CNC12CC2.
What is the InChIKey of (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol?
The InChIKey is QMXWLZGSIKPJEW-GXIMGVEYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-6(11)8-9(14)7(13)5-12-10(8)3-4-10/h6-9,12-14H,2-5H2,1H3/t6?,7-,8-,9+/m1/s1.
What are the key properties of (6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol?
(6R,7R,8S)-8-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol has a molecular weight of 203.26 g/mol, XLogP of 0.21, 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-(1-fluoropropyl)-4-azaspiro[2.5]octane-6,7-diol is sourced from PubChem (CID 118199650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).