2,2-difluoropent-4-enal

C5H6F2O — CID 23566279

IUPAC2,2-difluoropent-4-enal
SMILESC=CCC(F)(F)C=O
InChIInChI=1S/C5H6F2O/c1-2-3-5(6,7)4-8/h2,4H,1,3H2
InChIKeyGSZQOYRCCVXTTQ-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.40
Rot. Bonds3

About 2,2-difluoropent-4-enal

2,2-difluoropent-4-enal (PubChem CID 23566279) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 2,2-difluoropent-4-enal.

Molecular Properties

Compound Name2,2-difluoropent-4-enal
PubChem CID23566279
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name2,2-difluoropent-4-enal
SMILESC=CCC(F)(F)C=O
InChIInChI=1S/C5H6F2O/c1-2-3-5(6,7)4-8/h2,4H,1,3H2
InChIKeyGSZQOYRCCVXTTQ-UHFFFAOYSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-Difluoropent-4-enal
CID 86214934
2,2-Difluoro-4-pentenoyl fluoride
CID 14597125
2,2-Difluoro-3-methylpent-4-enal
CID 53751734
2-Fluorobut-3-enal
CID 55266593
6,6-Difluorohex-5-enal
CID 85674209
4,5,5-Trifluoropent-4-enal
CID 87194440
4,4-Difluorobut-3-enal
CID 87289046
2-(Trifluoromethyl)but-3-enal
CID 87525568
2,2-Difluoro-5-oxopent-4-enal
CID 88056407
3,3-Difluoro-2-oxohex-5-enal
CID 137507204
2-(Trifluoromethyl)pent-4-enal
CID 141152081
2,4-Difluorobut-3-enal
CID 172995233

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropent-4-enal?
The IUPAC name of 2,2-difluoropent-4-enal (CID 23566279) is 2,2-difluoropent-4-enal.
What is the SMILES notation for 2,2-difluoropent-4-enal?
The canonical SMILES for 2,2-difluoropent-4-enal is C=CCC(F)(F)C=O.
What is the InChIKey of 2,2-difluoropent-4-enal?
The InChIKey is GSZQOYRCCVXTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c1-2-3-5(6,7)4-8/h2,4H,1,3H2.
What are the key properties of 2,2-difluoropent-4-enal?
2,2-difluoropent-4-enal has a molecular weight of 120.10 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropent-4-enal is sourced from PubChem (CID 23566279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).