4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol

C6H11FO3 — CID 54533855

IUPAC4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESCC1OC(CO)C(O)C1F
InChIInChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3
InChIKeyYYKPWSPWWHZLTO-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.54
Rot. Bonds1

About 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol

4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 54533855) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID54533855
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESCC1OC(CO)C(O)C1F
InChIInChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3
InChIKeyYYKPWSPWWHZLTO-UHFFFAOYSA-N
XLogP-0.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 54533855) is 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is CC1OC(CO)C(O)C1F.
What is the InChIKey of 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is YYKPWSPWWHZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-3-5(7)6(9)4(2-8)10-3/h3-6,8-9H,2H2,1H3.
What are the key properties of 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 150.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 54533855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).