2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol

C6H11FO4 — CID 175787220

IUPAC2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1(CF)OCC(O)C1O
InChIInChI=1S/C6H11FO4/c7-2-6(3-8)5(10)4(9)1-11-6/h4-5,8-10H,1-3H2
InChIKeyLZLIJBBWMPJXHU-UHFFFAOYSA-N
MW166.15 g/mol
LogP-1.56
Rot. Bonds2

About 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol

2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 175787220) has the molecular formula C6H11FO4 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
PubChem CID175787220
Molecular FormulaC6H11FO4
Molecular Weight166.15 g/mol
Exact Mass166.06
IUPAC Name2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol
SMILESOCC1(CF)OCC(O)C1O
InChIInChI=1S/C6H11FO4/c7-2-6(3-8)5(10)4(9)1-11-6/h4-5,8-10H,1-3H2
InChIKeyLZLIJBBWMPJXHU-UHFFFAOYSA-N
XLogP-1.56
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol (CID 175787220) is 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol is OCC1(CF)OCC(O)C1O.
What is the InChIKey of 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is LZLIJBBWMPJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4/c7-2-6(3-8)5(10)4(9)1-11-6/h4-5,8-10H,1-3H2.
What are the key properties of 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol?
2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 166.15 g/mol, XLogP of -1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-2-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 175787220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).