3-fluoro-2-methylprop-2-enal

C4H5FO — CID 54060725

IUPAC3-fluoro-2-methylprop-2-enal
SMILESCC(C=O)=CF
InChIInChI=1S/C4H5FO/c1-4(2-5)3-6/h2-3H,1H3
InChIKeyCLKBKSGAGYWMIR-UHFFFAOYSA-N
MW88.08 g/mol
LogP1.06
Rot. Bonds1

About 3-fluoro-2-methylprop-2-enal

3-fluoro-2-methylprop-2-enal (PubChem CID 54060725) has the molecular formula C4H5FO and a molecular weight of 88.08 g/mol. Its IUPAC name is 3-fluoro-2-methylprop-2-enal.

Molecular Properties

Compound Name3-fluoro-2-methylprop-2-enal
PubChem CID54060725
Molecular FormulaC4H5FO
Molecular Weight88.08 g/mol
Exact Mass88.03
IUPAC Name3-fluoro-2-methylprop-2-enal
SMILESCC(C=O)=CF
InChIInChI=1S/C4H5FO/c1-4(2-5)3-6/h2-3H,1H3
InChIKeyCLKBKSGAGYWMIR-UHFFFAOYSA-N
XLogP1.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methacrolein
CID 6562
Methacryloyl fluoride
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2-(Trifluoromethyl)prop-2-enal
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4-Fluoro-2-methylidenebutanal
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(Z)-3-fluoro-2-methylprop-2-enal
CID 19870940
Methacrolein-13C
CID 71749931
(E)-4-fluoro-2-methylbut-2-enal
CID 89166676
3-Fluoro-2-methylidenebut-3-enal
CID 123706617
3-Fluoro-2-methylidenebutanal
CID 144523897
2-(Fluoromethylidene)propanedial
CID 174747416
CID 85547767
CID 85547767
CID 85675731
CID 85675731

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylprop-2-enal?
The IUPAC name of 3-fluoro-2-methylprop-2-enal (CID 54060725) is 3-fluoro-2-methylprop-2-enal.
What is the SMILES notation for 3-fluoro-2-methylprop-2-enal?
The canonical SMILES for 3-fluoro-2-methylprop-2-enal is CC(C=O)=CF.
What is the InChIKey of 3-fluoro-2-methylprop-2-enal?
The InChIKey is CLKBKSGAGYWMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO/c1-4(2-5)3-6/h2-3H,1H3.
What are the key properties of 3-fluoro-2-methylprop-2-enal?
3-fluoro-2-methylprop-2-enal has a molecular weight of 88.08 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylprop-2-enal is sourced from PubChem (CID 54060725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).