(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol

C5H8FNO — CID 23233057

IUPAC(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol
SMILESO[C@@H]1[C@@H]2CN[C@H]1[C@H]2F
InChIInChI=1S/C5H8FNO/c6-3-2-1-7-4(3)5(2)8/h2-5,7-8H,1H2/t2-,3+,4+,5-/m1/s1
InChIKeyZQHKJFYGSCKSPI-MGCNEYSASA-N
MW117.12 g/mol
LogP-0.71
Rot. Bonds

About (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol

(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol (PubChem CID 23233057) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol.

Molecular Properties

Compound Name(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol
PubChem CID23233057
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol
SMILESO[C@@H]1[C@@H]2CN[C@H]1[C@H]2F
InChIInChI=1S/C5H8FNO/c6-3-2-1-7-4(3)5(2)8/h2-5,7-8H,1H2/t2-,3+,4+,5-/m1/s1
InChIKeyZQHKJFYGSCKSPI-MGCNEYSASA-N
XLogP-0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol?
The IUPAC name of (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol (CID 23233057) is (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol.
What is the SMILES notation for (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol?
The canonical SMILES for (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol is O[C@@H]1[C@@H]2CN[C@H]1[C@H]2F.
What is the InChIKey of (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol?
The InChIKey is ZQHKJFYGSCKSPI-MGCNEYSASA-N. The full InChI is InChI=1S/C5H8FNO/c6-3-2-1-7-4(3)5(2)8/h2-5,7-8H,1H2/t2-,3+,4+,5-/m1/s1.
What are the key properties of (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol?
(1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol has a molecular weight of 117.12 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,6S)-6-fluoro-2-azabicyclo[2.1.1]hexan-5-ol is sourced from PubChem (CID 23233057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).