prop-2-enyl 2-fluorooctanoate

C11H19FO2 — CID 174814453

IUPACprop-2-enyl 2-fluorooctanoate
SMILESC=CCOC(=O)C(F)CCCCCC
InChIInChI=1S/C11H19FO2/c1-3-5-6-7-8-10(12)11(13)14-9-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyTXQSPIAKYCNBKF-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.02
Rot. Bonds8

About prop-2-enyl 2-fluorooctanoate

prop-2-enyl 2-fluorooctanoate (PubChem CID 174814453) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is prop-2-enyl 2-fluorooctanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-fluorooctanoate
PubChem CID174814453
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nameprop-2-enyl 2-fluorooctanoate
SMILESC=CCOC(=O)C(F)CCCCCC
InChIInChI=1S/C11H19FO2/c1-3-5-6-7-8-10(12)11(13)14-9-4-2/h4,10H,2-3,5-9H2,1H3
InChIKeyTXQSPIAKYCNBKF-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-fluorooctanoate?
The IUPAC name of prop-2-enyl 2-fluorooctanoate (CID 174814453) is prop-2-enyl 2-fluorooctanoate.
What is the SMILES notation for prop-2-enyl 2-fluorooctanoate?
The canonical SMILES for prop-2-enyl 2-fluorooctanoate is C=CCOC(=O)C(F)CCCCCC.
What is the InChIKey of prop-2-enyl 2-fluorooctanoate?
The InChIKey is TXQSPIAKYCNBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-5-6-7-8-10(12)11(13)14-9-4-2/h4,10H,2-3,5-9H2,1H3.
What are the key properties of prop-2-enyl 2-fluorooctanoate?
prop-2-enyl 2-fluorooctanoate has a molecular weight of 202.27 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-fluorooctanoate is sourced from PubChem (CID 174814453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).