(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C5H9FO3 — CID 18661324

IUPAC(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC[C@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO3/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyAKBXNRZFZUUPRP-LMVFSUKVSA-N
MW136.12 g/mol
LogP-0.92
Rot. Bonds1

About (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 18661324) has the molecular formula C5H9FO3 and a molecular weight of 136.12 g/mol. Its IUPAC name is (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID18661324
Molecular FormulaC5H9FO3
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESOC[C@H]1OC[C@H](F)[C@@H]1O
InChIInChI=1S/C5H9FO3/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1
InChIKeyAKBXNRZFZUUPRP-LMVFSUKVSA-N
XLogP-0.92
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetrahydrofurfuryl alcohol
CID 7360
3-Furanol, tetrahydro-
CID 9960
Anhydroxylitol
CID 104501
2-Methyloxolan-3-ol
CID 34742
1,4-Anhydroerythritol
CID 641773
1,4-Anhydroribitol
CID 10931473
1,4-Anhydrothreitol
CID 90803
(2S)-(+)-2-(Hydroxymethyl)tetrahydrofuran
CID 637528
(-)-3-Hydroxytetrahydrofuran
CID 641512
2,5-Anhydro-D-xylitol
CID 12444984
GlyTouCan:G33805QE
CID 12444981
(3R,5S)-5-(hydroxymethyl)tetrahydrofuran-3-ol
CID 5289103

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 18661324) is (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is OC[C@H]1OC[C@H](F)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is AKBXNRZFZUUPRP-LMVFSUKVSA-N. The full InChI is InChI=1S/C5H9FO3/c6-3-2-9-4(1-7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5-/m0/s1.
What are the key properties of (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
(2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 136.12 g/mol, XLogP of -0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 18661324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).