prop-2-enyl 2-cyclohexyl-2-fluorohexanoate

C15H25FO2 — CID 174882564

IUPACprop-2-enyl 2-cyclohexyl-2-fluorohexanoate
SMILESC=CCOC(=O)C(F)(CCCC)C1CCCCC1
InChIInChI=1S/C15H25FO2/c1-3-5-11-15(16,14(17)18-12-4-2)13-9-7-6-8-10-13/h4,13H,2-3,5-12H2,1H3
InChIKeyGYXLRVYAVUALNT-UHFFFAOYSA-N
MW256.36 g/mol
LogP4.19
Rot. Bonds7

About prop-2-enyl 2-cyclohexyl-2-fluorohexanoate

prop-2-enyl 2-cyclohexyl-2-fluorohexanoate (PubChem CID 174882564) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is prop-2-enyl 2-cyclohexyl-2-fluorohexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-cyclohexyl-2-fluorohexanoate
PubChem CID174882564
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Nameprop-2-enyl 2-cyclohexyl-2-fluorohexanoate
SMILESC=CCOC(=O)C(F)(CCCC)C1CCCCC1
InChIInChI=1S/C15H25FO2/c1-3-5-11-15(16,14(17)18-12-4-2)13-9-7-6-8-10-13/h4,13H,2-3,5-12H2,1H3
InChIKeyGYXLRVYAVUALNT-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-cyclohexyl-2-fluorohexanoate?
The IUPAC name of prop-2-enyl 2-cyclohexyl-2-fluorohexanoate (CID 174882564) is prop-2-enyl 2-cyclohexyl-2-fluorohexanoate.
What is the SMILES notation for prop-2-enyl 2-cyclohexyl-2-fluorohexanoate?
The canonical SMILES for prop-2-enyl 2-cyclohexyl-2-fluorohexanoate is C=CCOC(=O)C(F)(CCCC)C1CCCCC1.
What is the InChIKey of prop-2-enyl 2-cyclohexyl-2-fluorohexanoate?
The InChIKey is GYXLRVYAVUALNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FO2/c1-3-5-11-15(16,14(17)18-12-4-2)13-9-7-6-8-10-13/h4,13H,2-3,5-12H2,1H3.
What are the key properties of prop-2-enyl 2-cyclohexyl-2-fluorohexanoate?
prop-2-enyl 2-cyclohexyl-2-fluorohexanoate has a molecular weight of 256.36 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-cyclohexyl-2-fluorohexanoate is sourced from PubChem (CID 174882564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).