4,5-difluoro-2-methylidenepentanoic acid

C6H8F2O2 — CID 22603723

IUPAC4,5-difluoro-2-methylidenepentanoic acid
SMILESC=C(CC(F)CF)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-4(6(9)10)2-5(8)3-7/h5H,1-3H2,(H,9,10)
InChIKeyMNLHZABKLLDBIP-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.32
Rot. Bonds4

About 4,5-difluoro-2-methylidenepentanoic acid

4,5-difluoro-2-methylidenepentanoic acid (PubChem CID 22603723) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 4,5-difluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name4,5-difluoro-2-methylidenepentanoic acid
PubChem CID22603723
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name4,5-difluoro-2-methylidenepentanoic acid
SMILESC=C(CC(F)CF)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-4(6(9)10)2-5(8)3-7/h5H,1-3H2,(H,9,10)
InChIKeyMNLHZABKLLDBIP-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.12
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-methylidenepentanoic acid?
The IUPAC name of 4,5-difluoro-2-methylidenepentanoic acid (CID 22603723) is 4,5-difluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 4,5-difluoro-2-methylidenepentanoic acid?
The canonical SMILES for 4,5-difluoro-2-methylidenepentanoic acid is C=C(CC(F)CF)C(=O)O.
What is the InChIKey of 4,5-difluoro-2-methylidenepentanoic acid?
The InChIKey is MNLHZABKLLDBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-4(6(9)10)2-5(8)3-7/h5H,1-3H2,(H,9,10).
What are the key properties of 4,5-difluoro-2-methylidenepentanoic acid?
4,5-difluoro-2-methylidenepentanoic acid has a molecular weight of 150.12 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 22603723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).