(2Z)-2-(fluoromethylidene)butanedioic acid

C5H5FO4 — CID 155605654

IUPAC(2Z)-2-(fluoromethylidene)butanedioic acid
SMILESO=C(O)C/C(=C/F)C(=O)O
InChIInChI=1S/C5H5FO4/c6-2-3(5(9)10)1-4(7)8/h2H,1H2,(H,7,8)(H,9,10)/b3-2-
InChIKeyFHBIZOUIOXLWCD-IHWYPQMZSA-N
MW148.09 g/mol
LogP0.40
Rot. Bonds3

About (2Z)-2-(fluoromethylidene)butanedioic acid

(2Z)-2-(fluoromethylidene)butanedioic acid (PubChem CID 155605654) has the molecular formula C5H5FO4 and a molecular weight of 148.09 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)butanedioic acid.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)butanedioic acid
PubChem CID155605654
Molecular FormulaC5H5FO4
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name(2Z)-2-(fluoromethylidene)butanedioic acid
SMILESO=C(O)C/C(=C/F)C(=O)O
InChIInChI=1S/C5H5FO4/c6-2-3(5(9)10)1-4(7)8/h2H,1H2,(H,7,8)(H,9,10)/b3-2-
InChIKeyFHBIZOUIOXLWCD-IHWYPQMZSA-N
XLogP0.40
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid
CID 5280779
but-2-ene-1,2,4-tricarboxylic acid
CID 57041970
2-(3,3,3-trifluoropropylidene)butanedioic acid
CID 54284586
(2Z)-2-(2,2-dimethylpropylidene)butanedioic acid
CID 89292374
(2E)-2-(2,2-dimethylpropylidene)butanedioic acid
CID 5362877
(2Z)-2-[2-(hydroxyamino)-2-oxoethylidene]butanedioic acid
CID 163903254
(2E)-2-(acetamidomethylidene)butanedioic acid
CID 6168433
2-(formyloxymethylidene)butanedioic acid
CID 58283072
2-(3,3-dihydroxypropylidene)butanedioic acid
CID 54200754
(2E)-2-[(E)-but-2-enylidene]butanedioic acid
CID 87666227
2-ethylidenebutanedioic acid;prop-2-enoic acid
CID 162112732
2-(difluoromethylidene)butanedioic acid
CID 87966309

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethylidene)butanedioic acid?
The IUPAC name of (2Z)-2-(fluoromethylidene)butanedioic acid (CID 155605654) is (2Z)-2-(fluoromethylidene)butanedioic acid.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)butanedioic acid?
The canonical SMILES for (2Z)-2-(fluoromethylidene)butanedioic acid is O=C(O)C/C(=C/F)C(=O)O.
What is the InChIKey of (2Z)-2-(fluoromethylidene)butanedioic acid?
The InChIKey is FHBIZOUIOXLWCD-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H5FO4/c6-2-3(5(9)10)1-4(7)8/h2H,1H2,(H,7,8)(H,9,10)/b3-2-.
What are the key properties of (2Z)-2-(fluoromethylidene)butanedioic acid?
(2Z)-2-(fluoromethylidene)butanedioic acid has a molecular weight of 148.09 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethylidene)butanedioic acid is sourced from PubChem (CID 155605654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).