5,5-difluoropent-4-enal

C5H6F2O — CID 86214934

IUPAC5,5-difluoropent-4-enal
SMILESO=CCCC=C(F)F
InChIInChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h3-4H,1-2H2
InChIKeyZZGXDDQDBQCHHL-UHFFFAOYSA-N
MW120.10 g/mol
LogP1.75
Rot. Bonds3

About 5,5-difluoropent-4-enal

5,5-difluoropent-4-enal (PubChem CID 86214934) has the molecular formula C5H6F2O and a molecular weight of 120.10 g/mol. Its IUPAC name is 5,5-difluoropent-4-enal.

Molecular Properties

Compound Name5,5-difluoropent-4-enal
PubChem CID86214934
Molecular FormulaC5H6F2O
Molecular Weight120.10 g/mol
Exact Mass120.04
IUPAC Name5,5-difluoropent-4-enal
SMILESO=CCCC=C(F)F
InChIInChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h3-4H,1-2H2
InChIKeyZZGXDDQDBQCHHL-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7,7-Difluorohept-6-enal
CID 17996143
2,2-Difluoropent-4-enal
CID 23566279
2,2,3-Trifluorobut-3-enal
CID 53849570
6,6-Difluorohex-5-enal
CID 85674209
4,5,5-Trifluoropent-4-enal
CID 87194440
4,4-Difluorobut-3-enal
CID 87289046
2,2-Difluoro-5-oxopent-4-enal
CID 88056407
2-(Trifluoromethyl)pent-4-enal
CID 141152081
3-(Trifluoromethyl)pent-4-enal
CID 10057698
2-Fluoropent-4-enal
CID 55266594
(2R)-2-fluoropent-4-enal
CID 130831620
5,5-Difluoropent-4-enoyl fluoride
CID 150336204

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoropent-4-enal?
The IUPAC name of 5,5-difluoropent-4-enal (CID 86214934) is 5,5-difluoropent-4-enal.
What is the SMILES notation for 5,5-difluoropent-4-enal?
The canonical SMILES for 5,5-difluoropent-4-enal is O=CCCC=C(F)F.
What is the InChIKey of 5,5-difluoropent-4-enal?
The InChIKey is ZZGXDDQDBQCHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O/c6-5(7)3-1-2-4-8/h3-4H,1-2H2.
What are the key properties of 5,5-difluoropent-4-enal?
5,5-difluoropent-4-enal has a molecular weight of 120.10 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoropent-4-enal is sourced from PubChem (CID 86214934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).