2,2-bis(3-fluoroprop-2-enyl)propanedioic acid

C9H10F2O4 — CID 156628555

IUPAC2,2-bis(3-fluoroprop-2-enyl)propanedioic acid
SMILESO=C(O)C(CC=CF)(CC=CF)C(=O)O
InChIInChI=1S/C9H10F2O4/c10-5-1-3-9(7(12)13,8(14)15)4-2-6-11/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyWYHWWRSRZFFLFC-UHFFFAOYSA-N
MW220.17 g/mol
LogP1.89
Rot. Bonds6

About 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid

2,2-bis(3-fluoroprop-2-enyl)propanedioic acid (PubChem CID 156628555) has the molecular formula C9H10F2O4 and a molecular weight of 220.17 g/mol. Its IUPAC name is 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid.

Molecular Properties

Compound Name2,2-bis(3-fluoroprop-2-enyl)propanedioic acid
PubChem CID156628555
Molecular FormulaC9H10F2O4
Molecular Weight220.17 g/mol
Exact Mass220.05
IUPAC Name2,2-bis(3-fluoroprop-2-enyl)propanedioic acid
SMILESO=C(O)C(CC=CF)(CC=CF)C(=O)O
InChIInChI=1S/C9H10F2O4/c10-5-1-3-9(7(12)13,8(14)15)4-2-6-11/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15)
InChIKeyWYHWWRSRZFFLFC-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-Prop-2-enyl-2-(trifluoromethyl)pent-4-enoic acid
CID 25148922
2,2-Di-2-propen-1-ylpropanedioic acid
CID 10932091
2-Carboxy 2-difluoromethyl 5-hexenoic acid
CID 13273322
2-Fluoro-2-(prop-2-en-1-yl)propanedioic acid
CID 88506070
Ethyl(prop-2-en-1-yl)propanedioic acid
CID 297237
2-(2-Fluoroprop-2-enyl)-2-pent-4-enylpropanedioic acid
CID 101762268
2,2-Bis(1-fluoroprop-2-enyl)propanedioic acid
CID 173925758
2-Allyl-2-methyl malonic acid
CID 12630220
2,2-Diacetylpent-4-enoic acid
CID 17786537
2-Allyl-2-isopropylmalonic acid
CID 19043596
But-3-ene-1,1,1-tricarboxylic acid
CID 59237686
2-[(E)-but-2-enyl]-2-ethylpropanedioic acid
CID 87444804

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid?
The IUPAC name of 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid (CID 156628555) is 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid.
What is the SMILES notation for 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid?
The canonical SMILES for 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid is O=C(O)C(CC=CF)(CC=CF)C(=O)O.
What is the InChIKey of 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid?
The InChIKey is WYHWWRSRZFFLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O4/c10-5-1-3-9(7(12)13,8(14)15)4-2-6-11/h1-2,5-6H,3-4H2,(H,12,13)(H,14,15).
What are the key properties of 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid?
2,2-bis(3-fluoroprop-2-enyl)propanedioic acid has a molecular weight of 220.17 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(3-fluoroprop-2-enyl)propanedioic acid is sourced from PubChem (CID 156628555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).