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

C8H13FO3 — CID 122537173

IUPAC(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC=C[C@]1(CO)O[C@@H](C)[C@H](O)[C@@H]1F
InChIInChI=1S/C8H13FO3/c1-3-8(4-10)7(9)6(11)5(2)12-8/h3,5-7,10-11H,1,4H2,2H3/t5-,6-,7-,8+/m0/s1
InChIKeyCPEPXJBVXRTNJX-DKXJUACHSA-N
MW176.19 g/mol
LogP0.02
Rot. Bonds2

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

(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol (PubChem CID 122537173) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
PubChem CID122537173
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
SMILESC=C[C@]1(CO)O[C@@H](C)[C@H](O)[C@@H]1F
InChIInChI=1S/C8H13FO3/c1-3-8(4-10)7(9)6(11)5(2)12-8/h3,5-7,10-11H,1,4H2,2H3/t5-,6-,7-,8+/m0/s1
InChIKeyCPEPXJBVXRTNJX-DKXJUACHSA-N
XLogP0.02
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol with MolForge

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Related Compounds

1-(5-Methyl-5-vinyltetrahydrofuran-2-yl)ethanol
CID 57500616
2-Ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
CID 68733683
(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
CID 122537174
(2R,3R,4R,5S)-2-ethenyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 145600772
2-Ethenyl-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 175951374
(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol
CID 144842951
2-[5-Ethenyl-5-(hydroxymethyl)oxolan-2-yl]propan-2-ol
CID 13060372
2-Ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 68757550
[(2R,5S)-2-[(E)-2-chloroethenyl]-5-methyloxolan-2-yl]methanol
CID 88976634
[(2R,5S)-2-(2-chloroethenyl)-5-methyloxolan-2-yl]methanol
CID 90943114
2-Ethenyl-2-methyloxolane-3,4-diol
CID 91066717
2-Ethenyl-2-ethyl-4-methyloxolan-3-ol
CID 123865924

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The IUPAC name of (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol (CID 122537173) is (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol is C=C[C@]1(CO)O[C@@H](C)[C@H](O)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol?
The InChIKey is CPEPXJBVXRTNJX-DKXJUACHSA-N. The full InChI is InChI=1S/C8H13FO3/c1-3-8(4-10)7(9)6(11)5(2)12-8/h3,5-7,10-11H,1,4H2,2H3/t5-,6-,7-,8+/m0/s1.
What are the key properties of (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol?
(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol has a molecular weight of 176.19 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol is sourced from PubChem (CID 122537173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).