2,4-difluoropent-2-enal

C5H6F2O — CID 54407603

IUPAC2,4-difluoropent-2-enal
SMILESCC(F)C=C(F)C=O
InChIInChI=1S/C5H6F2O/c1-4(6)2-5(7)3-8/h2-4H,1H3
InChIKeyVRVBSVGXULLETR-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.40
Rot. Bonds2

About 2,4-difluoropent-2-enal

2,4-difluoropent-2-enal (PubChem CID 54407603) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 2,4-difluoropent-2-enal.

Molecular Properties

Compound Name2,4-difluoropent-2-enal
PubChem CID54407603
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2,4-difluoropent-2-enal
SMILESCC(F)C=C(F)C=O
InChIInChI=1S/C5H6F2O/c1-4(6)2-5(7)3-8/h2-4H,1H3
InChIKeyVRVBSVGXULLETR-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoropent-2-enal?
The IUPAC name of 2,4-difluoropent-2-enal (CID 54407603) is 2,4-difluoropent-2-enal.
What is the SMILES notation for 2,4-difluoropent-2-enal?
The canonical SMILES for 2,4-difluoropent-2-enal is CC(F)C=C(F)C=O.
What is the InChIKey of 2,4-difluoropent-2-enal?
The InChIKey is VRVBSVGXULLETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c1-4(6)2-5(7)3-8/h2-4H,1H3.
What are the key properties of 2,4-difluoropent-2-enal?
2,4-difluoropent-2-enal has a molecular weight of 120.10 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoropent-2-enal is sourced from PubChem (CID 54407603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).