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

C8H13FO2 — CID 144842951

IUPAC(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol
SMILESC=C[C@]1(C)OC(C)[C@H](F)[C@@H]1O
InChIInChI=1S/C8H13FO2/c1-4-8(3)7(10)6(9)5(2)11-8/h4-7,10H,1H2,2-3H3/t5?,6-,7-,8-/m0/s1
InChIKeyFWOZGAKYDSCGDI-DWQAGKKUSA-N
MW160.19 g/mol
LogP1.05
Rot. Bonds1

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

(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol (PubChem CID 144842951) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol
PubChem CID144842951
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol
SMILESC=C[C@]1(C)OC(C)[C@H](F)[C@@H]1O
InChIInChI=1S/C8H13FO2/c1-4-8(3)7(10)6(9)5(2)11-8/h4-7,10H,1H2,2-3H3/t5?,6-,7-,8-/m0/s1
InChIKeyFWOZGAKYDSCGDI-DWQAGKKUSA-N
XLogP1.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.05
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,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol?
The IUPAC name of (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol (CID 144842951) is (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol.
What is the SMILES notation for (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol?
The canonical SMILES for (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol is C=C[C@]1(C)OC(C)[C@H](F)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol?
The InChIKey is FWOZGAKYDSCGDI-DWQAGKKUSA-N. The full InChI is InChI=1S/C8H13FO2/c1-4-8(3)7(10)6(9)5(2)11-8/h4-7,10H,1H2,2-3H3/t5?,6-,7-,8-/m0/s1.
What are the key properties of (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol?
(2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol has a molecular weight of 160.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-2-ethenyl-4-fluoro-2,5-dimethyloxolan-3-ol is sourced from PubChem (CID 144842951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).