(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

C7H11FO3 — CID 140553561

IUPAC(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
SMILESOC[C@@]12C[C@@H](F)[C@@H](CO1)[C@@H]2O
InChIInChI=1S/C7H11FO3/c8-5-1-7(3-9)6(10)4(5)2-11-7/h4-6,9-10H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyCKJCJORIQIGCBA-MVIOUDGNSA-N
MW162.16 g/mol
LogP-0.53
Rot. Bonds1

About (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol

(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol (PubChem CID 140553561) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
PubChem CID140553561
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
SMILESOC[C@@]12C[C@@H](F)[C@@H](CO1)[C@@H]2O
InChIInChI=1S/C7H11FO3/c8-5-1-7(3-9)6(10)4(5)2-11-7/h4-6,9-10H,1-3H2/t4-,5-,6+,7-/m1/s1
InChIKeyCKJCJORIQIGCBA-MVIOUDGNSA-N
XLogP-0.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol with MolForge

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Related Compounds

(1R,4R,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
CID 59483209
(1R,4R,7R)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-ol
CID 54084561
CID 59638513
CID 59638513
5-fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 150245788
(2S,3S,4R,5S)-2-fluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 78226014
(3S,4R,5S)-2-amino-2-(hydroxymethyl)oxane-3,4,5-triol
CID 148549511
(1S,4R,5S,7S)-1-ethyl-7-phenylmethoxy-2-oxabicyclo[2.2.1]heptan-5-ol
CID 158067910
(1R,2R,3R,4S,5R)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
CID 51003894
CID 58635817
CID 58635817
[(2R)-2-fluoro-1-(hydroxymethyl)cyclopropyl]methanol
CID 125117096
[(5aS,6S,8aR)-6-(hydroxymethyl)-3,3-dimethyl-5,5a,6,7,8,8a-hexahydro-1H-cyclopenta[e][1,3]dioxepin-8-yl]methanol
CID 134865495
(2S,3S,4R,5R,6S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol
CID 10013013

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol (CID 140553561) is (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol is OC[C@@]12C[C@@H](F)[C@@H](CO1)[C@@H]2O.
What is the InChIKey of (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol?
The InChIKey is CKJCJORIQIGCBA-MVIOUDGNSA-N. The full InChI is InChI=1S/C7H11FO3/c8-5-1-7(3-9)6(10)4(5)2-11-7/h4-6,9-10H,1-3H2/t4-,5-,6+,7-/m1/s1.
What are the key properties of (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol?
(1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol has a molecular weight of 162.16 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,7S)-5-fluoro-1-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 140553561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).