penta-2,3,4-trienoyl fluoride

C5H3FO — CID 139658986

IUPACpenta-2,3,4-trienoyl fluoride
SMILESC=C=C=CC(=O)F
InChIInChI=1S/C5H3FO/c1-2-3-4-5(6)7/h4H,1H2
InChIKeyGWIIMBOGCILDFC-UHFFFAOYSA-N
MW98.08 g/mol
LogP0.98
Rot. Bonds1

About penta-2,3,4-trienoyl fluoride

penta-2,3,4-trienoyl fluoride (PubChem CID 139658986) has the molecular formula C5H3FO and a molecular weight of 98.08 g/mol. Its IUPAC name is penta-2,3,4-trienoyl fluoride.

Molecular Properties

Compound Namepenta-2,3,4-trienoyl fluoride
PubChem CID139658986
Molecular FormulaC5H3FO
Molecular Weight98.08 g/mol
Exact Mass98.02
IUPAC Namepenta-2,3,4-trienoyl fluoride
SMILESC=C=C=CC(=O)F
InChIInChI=1S/C5H3FO/c1-2-3-4-5(6)7/h4H,1H2
InChIKeyGWIIMBOGCILDFC-UHFFFAOYSA-N
XLogP0.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.08
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

azane;prop-2-enoyl fluoride
CID 175429328
hexa-2,3,4,5-tetraenoic acid
CID 137332363
buta-2,3-dienoic acid;ethene;prop-2-enoic acid
CID 88755428
propa-1,2-diene;prop-2-enoic acid
CID 87528700
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
ethene;prop-2-enoic acid;hydrate
CID 174424399
carbonofluoridic acid
CID 118456839
carbonic acid;ethene
CID 18430440
potassium;buta-2,3-dienoic acid;hydride
CID 176540162
carbon dioxide;prop-2-enoic acid
CID 91485631
CID 170852336
CID 170852336

Frequently Asked Questions

What is the IUPAC name of penta-2,3,4-trienoyl fluoride?
The IUPAC name of penta-2,3,4-trienoyl fluoride (CID 139658986) is penta-2,3,4-trienoyl fluoride.
What is the SMILES notation for penta-2,3,4-trienoyl fluoride?
The canonical SMILES for penta-2,3,4-trienoyl fluoride is C=C=C=CC(=O)F.
What is the InChIKey of penta-2,3,4-trienoyl fluoride?
The InChIKey is GWIIMBOGCILDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FO/c1-2-3-4-5(6)7/h4H,1H2.
What are the key properties of penta-2,3,4-trienoyl fluoride?
penta-2,3,4-trienoyl fluoride has a molecular weight of 98.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,3,4-trienoyl fluoride is sourced from PubChem (CID 139658986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).