[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol

C6H11FO2 — CID 135392143

IUPAC[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol
SMILESOCC1(CO)CC(F)C1
InChIInChI=1S/C6H11FO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4H2
InChIKeyUXNNFFARWJSUOF-UHFFFAOYSA-N
MW134.15 g/mol
LogP0.09
Rot. Bonds2

About [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol

[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol (PubChem CID 135392143) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol
PubChem CID135392143
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol
SMILESOCC1(CO)CC(F)C1
InChIInChI=1S/C6H11FO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4H2
InChIKeyUXNNFFARWJSUOF-UHFFFAOYSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The IUPAC name of [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol (CID 135392143) is [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol.
What is the SMILES notation for [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The canonical SMILES for [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol is OCC1(CO)CC(F)C1.
What is the InChIKey of [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol?
The InChIKey is UXNNFFARWJSUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO2/c7-5-1-6(2-5,3-8)4-9/h5,8-9H,1-4H2.
What are the key properties of [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol?
[3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol has a molecular weight of 134.15 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-1-(hydroxymethyl)cyclobutyl]methanol is sourced from PubChem (CID 135392143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).