4,4-difluoro-3-methylidenepentanal

C6H8F2O — CID 176610314

IUPAC4,4-difluoro-3-methylidenepentanal
SMILESC=C(CC=O)C(C)(F)F
InChIInChI=1S/C6H8F2O/c1-5(3-4-9)6(2,7)8/h4H,1,3H2,2H3
InChIKeyUKKWGCOPIHRTCC-UHFFFAOYSA-N
MW134.12 g/mol
LogP1.79
Rot. Bonds3

About 4,4-difluoro-3-methylidenepentanal

4,4-difluoro-3-methylidenepentanal (PubChem CID 176610314) has the molecular formula C6H8F2O and a molecular weight of 134.12 g/mol. Its IUPAC name is 4,4-difluoro-3-methylidenepentanal.

Molecular Properties

Compound Name4,4-difluoro-3-methylidenepentanal
PubChem CID176610314
Molecular FormulaC6H8F2O
Molecular Weight134.12 g/mol
Exact Mass134.05
IUPAC Name4,4-difluoro-3-methylidenepentanal
SMILESC=C(CC=O)C(C)(F)F
InChIInChI=1S/C6H8F2O/c1-5(3-4-9)6(2,7)8/h4H,1,3H2,2H3
InChIKeyUKKWGCOPIHRTCC-UHFFFAOYSA-N
XLogP1.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylidenepentanal?
The IUPAC name of 4,4-difluoro-3-methylidenepentanal (CID 176610314) is 4,4-difluoro-3-methylidenepentanal.
What is the SMILES notation for 4,4-difluoro-3-methylidenepentanal?
The canonical SMILES for 4,4-difluoro-3-methylidenepentanal is C=C(CC=O)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-3-methylidenepentanal?
The InChIKey is UKKWGCOPIHRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2O/c1-5(3-4-9)6(2,7)8/h4H,1,3H2,2H3.
What are the key properties of 4,4-difluoro-3-methylidenepentanal?
4,4-difluoro-3-methylidenepentanal has a molecular weight of 134.12 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylidenepentanal is sourced from PubChem (CID 176610314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).