2-fluoro-2-prop-2-enylpent-4-enal

C8H11FO — CID 142907651

IUPAC2-fluoro-2-prop-2-enylpent-4-enal
SMILESC=CCC(F)(C=O)CC=C
InChIInChI=1S/C8H11FO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyMKBWUTVBHJQZMY-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.05
Rot. Bonds5

About 2-fluoro-2-prop-2-enylpent-4-enal

2-fluoro-2-prop-2-enylpent-4-enal (PubChem CID 142907651) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-2-prop-2-enylpent-4-enal.

Molecular Properties

Compound Name2-fluoro-2-prop-2-enylpent-4-enal
PubChem CID142907651
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-2-prop-2-enylpent-4-enal
SMILESC=CCC(F)(C=O)CC=C
InChIInChI=1S/C8H11FO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2
InChIKeyMKBWUTVBHJQZMY-UHFFFAOYSA-N
XLogP2.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.05
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'}

Analyze 2-fluoro-2-prop-2-enylpent-4-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Pentenal, 2-ethyl-
CID 21264
2-Prop-2-enylpent-4-enal
CID 11378487
2-(2,2,2-Trifluoroethyl)pent-4-enal
CID 149605706
3-Ethenyl-3-fluoropent-4-enal
CID 168961586
2-(1,1-Difluoroprop-2-enyl)-3,3-difluoropent-4-enal
CID 173272425
2-(1,2,2-Trifluoroethyl)pent-4-enal
CID 175421389
6-Fluorohex-5-enal
CID 71325480
2-Ethenyl-3-fluoropent-4-enal
CID 143612909
4-Fluoro-3-(1-fluoroethenyl)hex-5-enal
CID 144152439
3-Prop-2-enylhex-5-enal
CID 11171009
Ethene;2-ethylpent-4-enal
CID 20130824
2-Ethyl-2-methylpent-4-enal
CID 21577623

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-prop-2-enylpent-4-enal?
The IUPAC name of 2-fluoro-2-prop-2-enylpent-4-enal (CID 142907651) is 2-fluoro-2-prop-2-enylpent-4-enal.
What is the SMILES notation for 2-fluoro-2-prop-2-enylpent-4-enal?
The canonical SMILES for 2-fluoro-2-prop-2-enylpent-4-enal is C=CCC(F)(C=O)CC=C.
What is the InChIKey of 2-fluoro-2-prop-2-enylpent-4-enal?
The InChIKey is MKBWUTVBHJQZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-3-5-8(9,7-10)6-4-2/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-fluoro-2-prop-2-enylpent-4-enal?
2-fluoro-2-prop-2-enylpent-4-enal has a molecular weight of 142.17 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-prop-2-enylpent-4-enal is sourced from PubChem (CID 142907651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).