11-fluoroundecyl prop-2-enoate

C14H25FO2 — CID 88673047

IUPAC11-fluoroundecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCF
InChIInChI=1S/C14H25FO2/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2H,1,3-13H2
InChIKeyBDZQOTSVFHZITA-UHFFFAOYSA-N
MW244.35 g/mol
LogP4.20
Rot. Bonds12

About 11-fluoroundecyl prop-2-enoate

11-fluoroundecyl prop-2-enoate (PubChem CID 88673047) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is 11-fluoroundecyl prop-2-enoate.

Molecular Properties

Compound Name11-fluoroundecyl prop-2-enoate
PubChem CID88673047
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name11-fluoroundecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCF
InChIInChI=1S/C14H25FO2/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2H,1,3-13H2
InChIKeyBDZQOTSVFHZITA-UHFFFAOYSA-N
XLogP4.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

14-fluorotetradecyl prop-2-enoate
CID 142675259
1-fluorododecane;heptyl prop-2-enoate
CID 175477219
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
10-hydroxydecyl prop-2-enoate
CID 14715958
12-hydroxydodecyl prop-2-enoate
CID 19859974
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
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
pentatriacontyl prop-2-enoate
CID 141309454

Frequently Asked Questions

What is the IUPAC name of 11-fluoroundecyl prop-2-enoate?
The IUPAC name of 11-fluoroundecyl prop-2-enoate (CID 88673047) is 11-fluoroundecyl prop-2-enoate.
What is the SMILES notation for 11-fluoroundecyl prop-2-enoate?
The canonical SMILES for 11-fluoroundecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCF.
What is the InChIKey of 11-fluoroundecyl prop-2-enoate?
The InChIKey is BDZQOTSVFHZITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-2-14(16)17-13-11-9-7-5-3-4-6-8-10-12-15/h2H,1,3-13H2.
What are the key properties of 11-fluoroundecyl prop-2-enoate?
11-fluoroundecyl prop-2-enoate has a molecular weight of 244.35 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoroundecyl prop-2-enoate is sourced from PubChem (CID 88673047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).