2-fluoropent-2-enedioic acid

C5H5FO4 — CID 90022975

IUPAC2-fluoropent-2-enedioic acid
SMILESO=C(O)CC=C(F)C(=O)O
InChIInChI=1S/C5H5FO4/c6-3(5(9)10)1-2-4(7)8/h1H,2H2,(H,7,8)(H,9,10)
InChIKeyHWZMGRUSVXKQOV-UHFFFAOYSA-N
MW148.09 g/mol
LogP0.40
Rot. Bonds3

About 2-fluoropent-2-enedioic acid

2-fluoropent-2-enedioic acid (PubChem CID 90022975) has the molecular formula C5H5FO4 and a molecular weight of 148.09 g/mol. Its IUPAC name is 2-fluoropent-2-enedioic acid.

Molecular Properties

Compound Name2-fluoropent-2-enedioic acid
PubChem CID90022975
Molecular FormulaC5H5FO4
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name2-fluoropent-2-enedioic acid
SMILESO=C(O)CC=C(F)C(=O)O
InChIInChI=1S/C5H5FO4/c6-3(5(9)10)1-2-4(7)8/h1H,2H2,(H,7,8)(H,9,10)
InChIKeyHWZMGRUSVXKQOV-UHFFFAOYSA-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-bromo-2-fluorobut-2-enoic acid
CID 19866003
(Z)-2-fluoro-3-hydroxyprop-2-enoic acid
CID 87646358
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498641
(Z)-2-fluorohept-2-enoic acid
CID 14691011
but-2-ene-1,2,4-tricarboxylic acid
CID 57041970
4,5-dimethylocta-3,5-dienedioic acid
CID 57299437
4-amino-5,5,5-trifluoropent-3-enoic acid
CID 151824390
(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
CID 25028652
(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
CID 25028656
(E)-2-(oxaloamino)pent-2-enedioic acid
CID 163489301
(E)-4-methylhex-3-enoic acid
CID 14197237
(E)-2-fluoro-3-formyloxyprop-2-enoic acid
CID 155767663

Frequently Asked Questions

What is the IUPAC name of 2-fluoropent-2-enedioic acid?
The IUPAC name of 2-fluoropent-2-enedioic acid (CID 90022975) is 2-fluoropent-2-enedioic acid.
What is the SMILES notation for 2-fluoropent-2-enedioic acid?
The canonical SMILES for 2-fluoropent-2-enedioic acid is O=C(O)CC=C(F)C(=O)O.
What is the InChIKey of 2-fluoropent-2-enedioic acid?
The InChIKey is HWZMGRUSVXKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FO4/c6-3(5(9)10)1-2-4(7)8/h1H,2H2,(H,7,8)(H,9,10).
What are the key properties of 2-fluoropent-2-enedioic acid?
2-fluoropent-2-enedioic 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 2-fluoropent-2-enedioic acid is sourced from PubChem (CID 90022975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).