(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one

C5H7FO3 — CID 14859657

IUPAC(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)C[C@@H]1F
InChIInChI=1S/C5H7FO3/c6-4-1-3(2-7)9-5(4)8/h3-4,7H,1-2H2/t3-,4-/m0/s1
InChIKeyQQOBGZZHJMIFCC-IMJSIDKUSA-N
MW134.11 g/mol
LogP-0.37
Rot. Bonds1

About (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one

(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one (PubChem CID 14859657) has the molecular formula C5H7FO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
PubChem CID14859657
Molecular FormulaC5H7FO3
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one
SMILESO=C1O[C@H](CO)C[C@@H]1F
InChIInChI=1S/C5H7FO3/c6-4-1-3(2-7)9-5(4)8/h3-4,7H,1-2H2/t3-,4-/m0/s1
InChIKeyQQOBGZZHJMIFCC-IMJSIDKUSA-N
XLogP-0.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Deoxy-D-Ribono-1,4-Lactone
CID 161815
5-(Hydroxymethyl)oxolan-2-one
CID 98431
4-Hydroxy-5-(hydroxymethyl)oxolan-2-one
CID 4635870
L-threo-Pentonic acid, 2-deoxy-, gamma-lactone
CID 10942458
(S)-(+)-gamma-Hydroxymethyl-gamma-butyrolactone
CID 2733813
(5R)-Dihydro-5-(hydroxymethyl)-2(3H)-furanone
CID 6950353
2-Deoxy-L-erythro-pentono-gamma-lactone
CID 10240836
3,3-Difluorooxolane-2-carboxylic acid
CID 130221982
3,3-Difluoro-4-hydroxy-5-hydroxymethyl-dihydro-furan-2-one
CID 13477302
(2S)-4,4-difluorooxolane-2-carboxylic acid
CID 145709235
3-Fluorooxolane-2-carboxylic acid
CID 165758109
(5S)-5-(hydroxymethyl)-3-(trifluoromethyl)oxolan-2-one
CID 10631329

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one (CID 14859657) is (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one is O=C1O[C@H](CO)C[C@@H]1F.
What is the InChIKey of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is QQOBGZZHJMIFCC-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H7FO3/c6-4-1-3(2-7)9-5(4)8/h3-4,7H,1-2H2/t3-,4-/m0/s1.
What are the key properties of (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one?
(3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 134.11 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-fluoro-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 14859657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).