14-fluorotetradecyl prop-2-enoate

C17H31FO2 — CID 142675259

IUPAC14-fluorotetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCF
InChIInChI=1S/C17H31FO2/c1-2-17(19)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18/h2H,1,3-16H2
InChIKeyKTOUJWNNKBRURO-UHFFFAOYSA-N
MW286.43 g/mol
LogP5.37
Rot. Bonds15

About 14-fluorotetradecyl prop-2-enoate

14-fluorotetradecyl prop-2-enoate (PubChem CID 142675259) has the molecular formula C17H31FO2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 14-fluorotetradecyl prop-2-enoate.

Molecular Properties

Compound Name14-fluorotetradecyl prop-2-enoate
PubChem CID142675259
Molecular FormulaC17H31FO2
Molecular Weight286.43 g/mol
Exact Mass286.23
IUPAC Name14-fluorotetradecyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCCCCCCCCF
InChIInChI=1S/C17H31FO2/c1-2-17(19)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18/h2H,1,3-16H2
InChIKeyKTOUJWNNKBRURO-UHFFFAOYSA-N
XLogP5.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 55.37
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'}

Analyze 14-fluorotetradecyl prop-2-enoate 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

11-fluoroundecyl prop-2-enoate
CID 88673047
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
10-hydroxydecyl prop-2-enoate
CID 14715958
11-hydroxyundecyl prop-2-enoate
CID 54223498
19-hydroxynonadecyl prop-2-enoate
CID 20625688
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
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
CID 159699669

Frequently Asked Questions

What is the IUPAC name of 14-fluorotetradecyl prop-2-enoate?
The IUPAC name of 14-fluorotetradecyl prop-2-enoate (CID 142675259) is 14-fluorotetradecyl prop-2-enoate.
What is the SMILES notation for 14-fluorotetradecyl prop-2-enoate?
The canonical SMILES for 14-fluorotetradecyl prop-2-enoate is C=CC(=O)OCCCCCCCCCCCCCCF.
What is the InChIKey of 14-fluorotetradecyl prop-2-enoate?
The InChIKey is KTOUJWNNKBRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31FO2/c1-2-17(19)20-16-14-12-10-8-6-4-3-5-7-9-11-13-15-18/h2H,1,3-16H2.
What are the key properties of 14-fluorotetradecyl prop-2-enoate?
14-fluorotetradecyl prop-2-enoate has a molecular weight of 286.43 g/mol, XLogP of 5.37, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-fluorotetradecyl prop-2-enoate is sourced from PubChem (CID 142675259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).