2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal

C8H8F4O — CID 173272425

IUPAC2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal
SMILESC=CC(F)(F)C(C=O)C(F)(F)C=C
InChIInChI=1S/C8H8F4O/c1-3-7(9,10)6(5-13)8(11,12)4-2/h3-6H,1-2H2
InChIKeyTULPGIKHNYASJZ-UHFFFAOYSA-N
MW196.14 g/mol
LogP2.44
Rot. Bonds5

About 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal

2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal (PubChem CID 173272425) has the molecular formula C8H8F4O and a molecular weight of 196.14 g/mol. Its IUPAC name is 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal.

Molecular Properties

Compound Name2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal
PubChem CID173272425
Molecular FormulaC8H8F4O
Molecular Weight196.14 g/mol
Exact Mass196.05
IUPAC Name2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal
SMILESC=CC(F)(F)C(C=O)C(F)(F)C=C
InChIInChI=1S/C8H8F4O/c1-3-7(9,10)6(5-13)8(11,12)4-2/h3-6H,1-2H2
InChIKeyTULPGIKHNYASJZ-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.14
LogP ≤ 52.44
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

2,2-Difluoro-3-methylpent-4-enal
CID 53751734
2-Fluoro-2-prop-2-enylpent-4-enal
CID 142907651
2-(2,2,2-Trifluoroethyl)pent-4-enal
CID 149605706
2-(1,2,2-Trifluoroethyl)pent-4-enal
CID 175421389
4-Fluoro-3-(1-fluoroethenyl)hex-5-enal
CID 144152439

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal?
The IUPAC name of 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal (CID 173272425) is 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal.
What is the SMILES notation for 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal?
The canonical SMILES for 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal is C=CC(F)(F)C(C=O)C(F)(F)C=C.
What is the InChIKey of 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal?
The InChIKey is TULPGIKHNYASJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4O/c1-3-7(9,10)6(5-13)8(11,12)4-2/h3-6H,1-2H2.
What are the key properties of 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal?
2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal has a molecular weight of 196.14 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroprop-2-enyl)-3,3-difluoropent-4-enal is sourced from PubChem (CID 173272425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).