5,5-difluoro-2-methylidenepentanoic acid

C6H8F2O2 — CID 23143942

IUPAC5,5-difluoro-2-methylidenepentanoic acid
SMILESC=C(CCC(F)F)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-4(6(9)10)2-3-5(7)8/h5H,1-3H2,(H,9,10)
InChIKeyWXUXXANYHBDCOD-UHFFFAOYSA-N
MW150.12 g/mol
LogP1.67
Rot. Bonds4

About 5,5-difluoro-2-methylidenepentanoic acid

5,5-difluoro-2-methylidenepentanoic acid (PubChem CID 23143942) has the molecular formula C6H8F2O2 and a molecular weight of 150.12 g/mol. Its IUPAC name is 5,5-difluoro-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5,5-difluoro-2-methylidenepentanoic acid
PubChem CID23143942
Molecular FormulaC6H8F2O2
Molecular Weight150.12 g/mol
Exact Mass150.05
IUPAC Name5,5-difluoro-2-methylidenepentanoic acid
SMILESC=C(CCC(F)F)C(=O)O
InChIInChI=1S/C6H8F2O2/c1-4(6(9)10)2-3-5(7)8/h5H,1-3H2,(H,9,10)
InChIKeyWXUXXANYHBDCOD-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
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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Related Compounds

5,6-dimethyl-2-methylideneheptanoic acid
CID 87749992
5-methoxy-2-methylideneheptanoic acid
CID 23448523
6-hydroxy-5-methyl-2-methylideneoctanoic acid
CID 57135378
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
5-hexyl-2-methylidenetridecanoic acid
CID 88921058
2-methylidenepentanoic acid;hydrate
CID 88770361
6,6-difluoro-2-methylhex-1-en-3-one
CID 138702375
2-methylidenepentanedioic acid
CID 88647821
6-methyl-2-methylideneoctanoic acid
CID 54361308
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenehexanoic acid;zinc
CID 174824467
5-(diethylamino)-5-ethoxy-2-methylidenepentanoic acid
CID 87188350

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methylidenepentanoic acid?
The IUPAC name of 5,5-difluoro-2-methylidenepentanoic acid (CID 23143942) is 5,5-difluoro-2-methylidenepentanoic acid.
What is the SMILES notation for 5,5-difluoro-2-methylidenepentanoic acid?
The canonical SMILES for 5,5-difluoro-2-methylidenepentanoic acid is C=C(CCC(F)F)C(=O)O.
What is the InChIKey of 5,5-difluoro-2-methylidenepentanoic acid?
The InChIKey is WXUXXANYHBDCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O2/c1-4(6(9)10)2-3-5(7)8/h5H,1-3H2,(H,9,10).
What are the key properties of 5,5-difluoro-2-methylidenepentanoic acid?
5,5-difluoro-2-methylidenepentanoic acid has a molecular weight of 150.12 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methylidenepentanoic acid is sourced from PubChem (CID 23143942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).