cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one

C5H7FO2 — CID 66739674

IUPACcis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one
SMILESO=C1C[C@@H](CO)[C@H]1F
InChIInChI=1S/C5H7FO2/c6-5-3(2-7)1-4(5)8/h3,5,7H,1-2H2/t3-,5+/m0/s1
InChIKeyWMRIXSLDVKCKKY-WVZVXSGGSA-N
MW118.11 g/mol
LogP-0.09
Rot. Bonds1

About cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one

cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one (PubChem CID 66739674) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one.

Molecular Properties

Compound Namecis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one
PubChem CID66739674
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Namecis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one
SMILESO=C1C[C@@H](CO)[C@H]1F
InChIInChI=1S/C5H7FO2/c6-5-3(2-7)1-4(5)8/h3,5,7H,1-2H2/t3-,5+/m0/s1
InChIKeyWMRIXSLDVKCKKY-WVZVXSGGSA-N
XLogP-0.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one?
The IUPAC name of cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one (CID 66739674) is cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one.
What is the SMILES notation for cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one?
The canonical SMILES for cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one is O=C1C[C@@H](CO)[C@H]1F.
What is the InChIKey of cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one?
The InChIKey is WMRIXSLDVKCKKY-WVZVXSGGSA-N. The full InChI is InChI=1S/C5H7FO2/c6-5-3(2-7)1-4(5)8/h3,5,7H,1-2H2/t3-,5+/m0/s1.
What are the key properties of cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one?
cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one has a molecular weight of 118.11 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,3S)-2-fluoro-3-(hydroxymethyl)cyclobutan-1-one is sourced from PubChem (CID 66739674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).