2-fluoropropanal

C3H5FO — CID 11240423

IUPAC2-fluoropropanal
SMILESCC(F)C=O
InChIInChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3
InChIKeyHFURQLWNYUCPHT-UHFFFAOYSA-N
MW76.07 g/mol
LogP0.54
Rot. Bonds1

About 2-fluoropropanal

2-fluoropropanal (PubChem CID 11240423) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is 2-fluoropropanal.

Molecular Properties

Compound Name2-fluoropropanal
PubChem CID11240423
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name2-fluoropropanal
SMILESCC(F)C=O
InChIInChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3
InChIKeyHFURQLWNYUCPHT-UHFFFAOYSA-N
XLogP0.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Propanal
CID 527
Butanal, 4-fluoro-
CID 68043
Propionaldehyde-2,2,3,3,3-D5
CID 56845944
Propionaldehyde-2,2-d2
CID 12201346
2-Fluoro-2-methylpropanal
CID 12531594
(1-~13~C)Propanal
CID 71309167
3-Fluorobutanal
CID 17868783
3-Fluoropropanal
CID 20194933
Propanal-d
CID 12201347
2-Fluorobutanal
CID 12710519
1-Propanone hydrochloride
CID 22314775
3-Fluoro-2-methylpropanal
CID 17776541

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropanal?
The IUPAC name of 2-fluoropropanal (CID 11240423) is 2-fluoropropanal.
What is the SMILES notation for 2-fluoropropanal?
The canonical SMILES for 2-fluoropropanal is CC(F)C=O.
What is the InChIKey of 2-fluoropropanal?
The InChIKey is HFURQLWNYUCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO/c1-3(4)2-5/h2-3H,1H3.
What are the key properties of 2-fluoropropanal?
2-fluoropropanal has a molecular weight of 76.07 g/mol, XLogP of 0.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropanal is sourced from PubChem (CID 11240423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).