(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol

C6H11FO3 — CID 58758262

IUPAC(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1OC(CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5-,6+/m0/s1
InChIKeyYYKPWSPWWHZLTO-OBOOZECYSA-N
MW150.15 g/mol
LogP-0.54
Rot. Bonds1

About (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol

(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 58758262) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID58758262
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESC[C@@H]1OC(CO)[C@@H](O)[C@H]1F
InChIInChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5-,6+/m0/s1
InChIKeyYYKPWSPWWHZLTO-OBOOZECYSA-N
XLogP-0.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 126576554
(2S,3R,4R,5S,6R)-5-fluoro-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 89292161
(4-fluoro-3,5-dimethyloxolan-2-yl)methanol
CID 76558929
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(3R,4R)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 121426281
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(2R,3S,4S,5S)-2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol
CID 122527518
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 58758262) is (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is C[C@@H]1OC(CO)[C@@H](O)[C@H]1F.
What is the InChIKey of (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is YYKPWSPWWHZLTO-OBOOZECYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3/t3-,4?,5-,6+/m0/s1.
What are the key properties of (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
(3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 150.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 58758262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).