butanal;hydrate;hydrofluoride

C4H11FO2 — CID 174309554

IUPACbutanal;hydrate;hydrofluoride
SMILESCCCC=O.F.O
InChIInChI=1S/C4H8O.FH.H2O/c1-2-3-4-5;;/h4H,2-3H2,1H3;1H;1H2
InChIKeyRUMDXYBFPUCZNG-UHFFFAOYSA-N
MW110.13 g/mol
LogP0.31
Rot. Bonds2

About butanal;hydrate;hydrofluoride

butanal;hydrate;hydrofluoride (PubChem CID 174309554) has the molecular formula C4H11FO2 and a molecular weight of 110.13 g/mol. Its IUPAC name is butanal;hydrate;hydrofluoride.

Molecular Properties

Compound Namebutanal;hydrate;hydrofluoride
PubChem CID174309554
Molecular FormulaC4H11FO2
Molecular Weight110.13 g/mol
Exact Mass110.07
IUPAC Namebutanal;hydrate;hydrofluoride
SMILESCCCC=O.F.O
InChIInChI=1S/C4H8O.FH.H2O/c1-2-3-4-5;;/h4H,2-3H2,1H3;1H;1H2
InChIKeyRUMDXYBFPUCZNG-UHFFFAOYSA-N
XLogP0.31
TPSA48.57 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butanal;hydrate;hydrofluoride with MolForge

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

Launch Full Analysis

Related Compounds

butanal;dihydrate
CID 144519369
butanal;propane
CID 142417026
alumane;butanal
CID 175259224
lithium;butanal;hydride
CID 172997577
magnesium;butanal;hydride
CID 173011823
butanal;carbon dioxide
CID 91446908
butanal;pentanedial
CID 87991120
butanal;propanal;propane
CID 88619046
butanal;trichloroalumane
CID 174957619
butanal;N,N-dibutylbutan-1-amine
CID 174791584
undecanal;hydrate
CID 154984235
neodymium;pentanal
CID 87838749

Frequently Asked Questions

What is the IUPAC name of butanal;hydrate;hydrofluoride?
The IUPAC name of butanal;hydrate;hydrofluoride (CID 174309554) is butanal;hydrate;hydrofluoride.
What is the SMILES notation for butanal;hydrate;hydrofluoride?
The canonical SMILES for butanal;hydrate;hydrofluoride is CCCC=O.F.O.
What is the InChIKey of butanal;hydrate;hydrofluoride?
The InChIKey is RUMDXYBFPUCZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.FH.H2O/c1-2-3-4-5;;/h4H,2-3H2,1H3;1H;1H2.
What are the key properties of butanal;hydrate;hydrofluoride?
butanal;hydrate;hydrofluoride has a molecular weight of 110.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;hydrate;hydrofluoride is sourced from PubChem (CID 174309554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).