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

C9H15FO2 — CID 122537174

IUPAC(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
SMILESC=C[C@]1(CC)O[C@@H](C)[C@H](O)[C@@H]1F
InChIInChI=1S/C9H15FO2/c1-4-9(5-2)8(10)7(11)6(3)12-9/h4,6-8,11H,1,5H2,2-3H3/t6-,7-,8-,9+/m0/s1
InChIKeySFIIFDODURFXAY-XSPKLOCKSA-N
MW174.21 g/mol
LogP1.44
Rot. Bonds2

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

(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol (PubChem CID 122537174) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
PubChem CID122537174
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
SMILESC=C[C@]1(CC)O[C@@H](C)[C@H](O)[C@@H]1F
InChIInChI=1S/C9H15FO2/c1-4-9(5-2)8(10)7(11)6(3)12-9/h4,6-8,11H,1,5H2,2-3H3/t6-,7-,8-,9+/m0/s1
InChIKeySFIIFDODURFXAY-XSPKLOCKSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol?
The IUPAC name of (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol (CID 122537174) is (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol.
What is the SMILES notation for (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol?
The canonical SMILES for (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol is C=C[C@]1(CC)O[C@@H](C)[C@H](O)[C@@H]1F.
What is the InChIKey of (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol?
The InChIKey is SFIIFDODURFXAY-XSPKLOCKSA-N. The full InChI is InChI=1S/C9H15FO2/c1-4-9(5-2)8(10)7(11)6(3)12-9/h4,6-8,11H,1,5H2,2-3H3/t6-,7-,8-,9+/m0/s1.
What are the key properties of (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol?
(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol has a molecular weight of 174.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol is sourced from PubChem (CID 122537174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).