2-(fluoromethylidene)propanedial

C4H3FO2 — CID 174747416

IUPAC2-(fluoromethylidene)propanedial
SMILESO=CC(C=O)=CF
InChIInChI=1S/C4H3FO2/c5-1-4(2-6)3-7/h1-3H
InChIKeyRJWFMTOTLCWPFA-UHFFFAOYSA-N
MW102.06 g/mol
LogP0.24
Rot. Bonds2

About 2-(fluoromethylidene)propanedial

2-(fluoromethylidene)propanedial (PubChem CID 174747416) has the molecular formula C4H3FO2 and a molecular weight of 102.06 g/mol. Its IUPAC name is 2-(fluoromethylidene)propanedial.

Molecular Properties

Compound Name2-(fluoromethylidene)propanedial
PubChem CID174747416
Molecular FormulaC4H3FO2
Molecular Weight102.06 g/mol
Exact Mass102.01
IUPAC Name2-(fluoromethylidene)propanedial
SMILESO=CC(C=O)=CF
InChIInChI=1S/C4H3FO2/c5-1-4(2-6)3-7/h1-3H
InChIKeyRJWFMTOTLCWPFA-UHFFFAOYSA-N
XLogP0.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.06
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

Methylidenepropanedial
CID 19830152
2-(Trifluoromethyl)prop-2-enal
CID 6328846
(Z)-3-fluoro-2-methylprop-2-enal
CID 19870940
3-Fluoro-2-methylprop-2-enal
CID 54060725
CID 57367224
CID 57367224
2-(Fluoromethyl)prop-2-enal
CID 101574115
2-Formyl-3-oxoprop-1-en-1-olate
CID 21633599
Sodium 2-formyl-3-oxoprop-1-en-1-olate
CID 136590523

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethylidene)propanedial?
The IUPAC name of 2-(fluoromethylidene)propanedial (CID 174747416) is 2-(fluoromethylidene)propanedial.
What is the SMILES notation for 2-(fluoromethylidene)propanedial?
The canonical SMILES for 2-(fluoromethylidene)propanedial is O=CC(C=O)=CF.
What is the InChIKey of 2-(fluoromethylidene)propanedial?
The InChIKey is RJWFMTOTLCWPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FO2/c5-1-4(2-6)3-7/h1-3H.
What are the key properties of 2-(fluoromethylidene)propanedial?
2-(fluoromethylidene)propanedial has a molecular weight of 102.06 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethylidene)propanedial is sourced from PubChem (CID 174747416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).