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

C10H12F2O4 — CID 173186473

IUPAC2,2-bis(3-fluoroprop-2-enyl)butanedioic acid
SMILESO=C(O)CC(CC=CF)(CC=CF)C(=O)O
InChIInChI=1S/C10H12F2O4/c11-5-1-3-10(9(15)16,4-2-6-12)7-8(13)14/h1-2,5-6H,3-4,7H2,(H,13,14)(H,15,16)
InChIKeyNDOPVKHNYAZWGM-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.28
Rot. Bonds7

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

2,2-bis(3-fluoroprop-2-enyl)butanedioic acid (PubChem CID 173186473) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid.

Molecular Properties

Compound Name2,2-bis(3-fluoroprop-2-enyl)butanedioic acid
PubChem CID173186473
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Name2,2-bis(3-fluoroprop-2-enyl)butanedioic acid
SMILESO=C(O)CC(CC=CF)(CC=CF)C(=O)O
InChIInChI=1S/C10H12F2O4/c11-5-1-3-10(9(15)16,4-2-6-12)7-8(13)14/h1-2,5-6H,3-4,7H2,(H,13,14)(H,15,16)
InChIKeyNDOPVKHNYAZWGM-UHFFFAOYSA-N
XLogP2.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid?
The IUPAC name of 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid (CID 173186473) is 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid.
What is the SMILES notation for 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid?
The canonical SMILES for 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid is O=C(O)CC(CC=CF)(CC=CF)C(=O)O.
What is the InChIKey of 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid?
The InChIKey is NDOPVKHNYAZWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4/c11-5-1-3-10(9(15)16,4-2-6-12)7-8(13)14/h1-2,5-6H,3-4,7H2,(H,13,14)(H,15,16).
What are the key properties of 2,2-bis(3-fluoroprop-2-enyl)butanedioic acid?
2,2-bis(3-fluoroprop-2-enyl)butanedioic acid has a molecular weight of 234.20 g/mol, XLogP of 2.28, 7 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)butanedioic acid is sourced from PubChem (CID 173186473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).