fluoro prop-2-enoate;octadecyl prop-2-enoate

C24H43FO4 — CID 175543599

IUPACfluoro prop-2-enoate;octadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)OF
InChIInChI=1S/C21H40O2.C3H3FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-2-3(5)6-4/h4H,2-3,5-20H2,1H3;2H,1H2
InChIKeyGCENQNALUWQPDP-UHFFFAOYSA-N
MW414.60 g/mol
LogP7.58
Rot. Bonds19

About fluoro prop-2-enoate;octadecyl prop-2-enoate

fluoro prop-2-enoate;octadecyl prop-2-enoate (PubChem CID 175543599) has the molecular formula C24H43FO4 and a molecular weight of 414.60 g/mol. Its IUPAC name is fluoro prop-2-enoate;octadecyl prop-2-enoate.

Molecular Properties

Compound Namefluoro prop-2-enoate;octadecyl prop-2-enoate
PubChem CID175543599
Molecular FormulaC24H43FO4
Molecular Weight414.60 g/mol
Exact Mass414.31
IUPAC Namefluoro prop-2-enoate;octadecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)OF
InChIInChI=1S/C21H40O2.C3H3FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-2-3(5)6-4/h4H,2-3,5-20H2,1H3;2H,1H2
InChIKeyGCENQNALUWQPDP-UHFFFAOYSA-N
XLogP7.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.60
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
1-fluorododecane;heptyl prop-2-enoate
CID 175477219
chloroethene;octyl prop-2-enoate
CID 87386135

Frequently Asked Questions

What is the IUPAC name of fluoro prop-2-enoate;octadecyl prop-2-enoate?
The IUPAC name of fluoro prop-2-enoate;octadecyl prop-2-enoate (CID 175543599) is fluoro prop-2-enoate;octadecyl prop-2-enoate.
What is the SMILES notation for fluoro prop-2-enoate;octadecyl prop-2-enoate?
The canonical SMILES for fluoro prop-2-enoate;octadecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCCCCCCC.C=CC(=O)OF.
What is the InChIKey of fluoro prop-2-enoate;octadecyl prop-2-enoate?
The InChIKey is GCENQNALUWQPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2.C3H3FO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2;1-2-3(5)6-4/h4H,2-3,5-20H2,1H3;2H,1H2.
What are the key properties of fluoro prop-2-enoate;octadecyl prop-2-enoate?
fluoro prop-2-enoate;octadecyl prop-2-enoate has a molecular weight of 414.60 g/mol, XLogP of 7.58, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro prop-2-enoate;octadecyl prop-2-enoate is sourced from PubChem (CID 175543599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).