2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol

C8H13FO3 — CID 68733683

IUPAC2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC=CC1(CO)OCC(CF)C1O
InChIInChI=1S/C8H13FO3/c1-2-8(5-10)7(11)6(3-9)4-12-8/h2,6-7,10-11H,1,3-5H2
InChIKeySGIWQQNREQRFDJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP-0.12
Rot. Bonds3

About 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol

2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 68733683) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID68733683
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol
SMILESC=CC1(CO)OCC(CF)C1O
InChIInChI=1S/C8H13FO3/c1-2-8(5-10)7(11)6(3-9)4-12-8/h2,6-7,10-11H,1,3-5H2
InChIKeySGIWQQNREQRFDJ-UHFFFAOYSA-N
XLogP-0.12
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 88916335
CID 88916335
CID 88930701
CID 88930701
(2S,3S,4S,5R)-5-ethenyl-4-fluoro-5-(hydroxymethyl)-2-methyloxolan-3-ol
CID 122537173
(2S,3S,4S,5S)-5-ethenyl-5-ethyl-4-fluoro-2-methyloxolan-3-ol
CID 122537174
CID 123586996
CID 123586996
(2R,3R,4R,5S)-2-ethenyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 145600772
CID 173589389
CID 173589389
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-Ethenyl-2-(hydroxymethyl)-4-methyloxolan-3-ol
CID 68757550
CID 89799607
CID 89799607
2-Ethenyl-2-methyloxolane-3,4-diol
CID 91066717

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol (CID 68733683) is 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol is C=CC1(CO)OCC(CF)C1O.
What is the InChIKey of 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SGIWQQNREQRFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-2-8(5-10)7(11)6(3-9)4-12-8/h2,6-7,10-11H,1,3-5H2.
What are the key properties of 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol?
2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 176.19 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(fluoromethyl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 68733683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).