3-(2-Fluorophenyl)prop-2-ynal

HCID 22677658

Notes Reactions

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Basic information

Standard SMILES: O=CC#Cc1ccccc1F
InChIKey: VDYTXXXJRPMART-UHFFFAOYSA-N
Molecular formula: C9H5FO
Average molar mass: 148.13 g/mol
Monoisotopic mass: 148.03244294

Names & identifiers

Preferred name: 3-(2-Fluorophenyl)prop-2-ynal
IUPAC: 3-(2-fluorophenyl)prop-2-ynal

Names & synonyms

406687-57-83-(2-fluorophenyl)prop-2-ynal3-(2-Fluorophenyl)propiolaldehyde2-Propynal, 3-(2-fluorophenyl)- (9CI)SCHEMBL6772472VDYTXXXJRPMART-UHFFFAOYSA-N2-Propynal, 3-(2-fluorophenyl)-DB-270956

Database identifiers

PubChem CID: 22677658

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 198

Related reactions

4 records

New reaction record

HRID 135422As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 213112As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1837941As productuspto-grants-2004_08

HRID 1837942As reactantuspto-grants-2004_08

Compound notes

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