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

C6H9FO4 — CID 66795801

IUPAC(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESCC1(F)C(=O)OC(CO)[C@H]1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3?,4-,6?/m1/s1
InChIKeyVNCJYMKHJWVTPK-NHTYNGABSA-N
MW164.13 g/mol
LogP-1.01
Rot. Bonds1

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

(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (PubChem CID 66795801) has the molecular formula C6H9FO4 and a molecular weight of 164.13 g/mol. Its IUPAC name is (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.

Molecular Properties

Compound Name(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
PubChem CID66795801
Molecular FormulaC6H9FO4
Molecular Weight164.13 g/mol
Exact Mass164.05
IUPAC Name(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
SMILESCC1(F)C(=O)OC(CO)[C@H]1O
InChIInChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3?,4-,6?/m1/s1
InChIKeyVNCJYMKHJWVTPK-NHTYNGABSA-N
XLogP-1.01
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 13477302
(3S)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 58701530
(3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 11513798
(3S)-3-bromo-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 170836452
(3S,4R,5R)-5-ethyl-3-fluoro-3,4-dimethyloxolan-2-one
CID 118423800
(3R,5R)-3-fluoro-4,5-dihydroxy-3-methyloxan-2-one
CID 58957406
[(2R,3R,4R)-4-fluoro-4-methyl-3-oxaldehydoyloxy-5-oxooxolan-2-yl]methyl 2-oxoacetate
CID 169299253
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(6R,7S)-7-chloro-6-(hydroxymethyl)-5-oxaspiro[2.4]heptan-4-one
CID 53375971
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(4R)-4-fluoro-2-(hydroxymethyl)-5-methoxy-4-methyloxolan-3-ol
CID 68979706

Frequently Asked Questions

What is the IUPAC name of (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The IUPAC name of (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one (CID 66795801) is (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one.
What is the SMILES notation for (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The canonical SMILES for (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is CC1(F)C(=O)OC(CO)[C@H]1O.
What is the InChIKey of (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
The InChIKey is VNCJYMKHJWVTPK-NHTYNGABSA-N. The full InChI is InChI=1S/C6H9FO4/c1-6(7)4(9)3(2-8)11-5(6)10/h3-4,8-9H,2H2,1H3/t3?,4-,6?/m1/s1.
What are the key properties of (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one?
(4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one has a molecular weight of 164.13 g/mol, XLogP of -1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one is sourced from PubChem (CID 66795801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).