(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one

C6H7FO4 — CID 68552701

IUPAC(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one
SMILESC[C@]1(F)C(=O)OC(CO)=C1O
InChIInChI=1S/C6H7FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h8-9H,2H2,1H3/t6-/m1/s1
InChIKeyHIIIVJXBMPAFOA-ZCFIWIBFSA-N
MW162.12 g/mol
LogP0.03
Rot. Bonds1

About (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one

(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one (PubChem CID 68552701) has the molecular formula C6H7FO4 and a molecular weight of 162.12 g/mol. Its IUPAC name is (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one.

Molecular Properties

Compound Name(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one
PubChem CID68552701
Molecular FormulaC6H7FO4
Molecular Weight162.12 g/mol
Exact Mass162.03
IUPAC Name(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one
SMILESC[C@]1(F)C(=O)OC(CO)=C1O
InChIInChI=1S/C6H7FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h8-9H,2H2,1H3/t6-/m1/s1
InChIKeyHIIIVJXBMPAFOA-ZCFIWIBFSA-N
XLogP0.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.12
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,4,4,5-pentafluoro-5-methyloxane-2,6-dione
CID 165100383
(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 66795801
3,9-difluoro-3,9-dimethyl-1,5,7,11-tetraoxa-6-boranuidaspiro[5.5]undecane-2,4,8,10-tetrone
CID 159857892
3-ethyl-3-fluorooxetane-2,4-dione
CID 174939367
lithium 3,9-difluoro-3,9-dimethyl-1,5,7,11-tetraoxa-6-boranuidaspiro[5.5]undecane-2,4,8,10-tetrone
CID 159857891
(3R,4R)-3,4,5-trihydroxy-6-(hydroxymethyl)-3,4-dihydropyran-2-one
CID 46173037
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
3,3-dimethyloxane-2,6-dione;ethanol
CID 158820493
4-(2-hydroxyethyl)-2,2-dimethyloxolan-3-one
CID 130691249
2,2,3,3-tetrafluorocyclopropan-1-one
CID 175052799
4-(difluoromethylidene)-3,3-difluorooxetan-2-one
CID 87774361
ethane;propane;2,2,5,5-tetramethyl-1,3-dioxane-4,6-dione
CID 142877166

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one?
The IUPAC name of (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one (CID 68552701) is (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one.
What is the SMILES notation for (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one?
The canonical SMILES for (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one is C[C@]1(F)C(=O)OC(CO)=C1O.
What is the InChIKey of (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one?
The InChIKey is HIIIVJXBMPAFOA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H7FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h8-9H,2H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one?
(3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one has a molecular weight of 162.12 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methylfuran-2-one is sourced from PubChem (CID 68552701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).