6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane

C17H33F — CID 87163908

IUPAC6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane
SMILESC=C(C)CC(CCCC)C(CC)CCC(F)CC
InChIInChI=1S/C17H33F/c1-6-9-10-16(13-14(4)5)15(7-2)11-12-17(18)8-3/h15-17H,4,6-13H2,1-3,5H3
InChIKeyMJGISQDNMLYAGI-UHFFFAOYSA-N
MW256.45 g/mol
LogP6.31
Rot. Bonds11

About 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane

6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane (PubChem CID 87163908) has the molecular formula C17H33F and a molecular weight of 256.45 g/mol. Its IUPAC name is 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane.

Molecular Properties

Compound Name6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane
PubChem CID87163908
Molecular FormulaC17H33F
Molecular Weight256.45 g/mol
Exact Mass256.26
IUPAC Name6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane
SMILESC=C(C)CC(CCCC)C(CC)CCC(F)CC
InChIInChI=1S/C17H33F/c1-6-9-10-16(13-14(4)5)15(7-2)11-12-17(18)8-3/h15-17H,4,6-13H2,1-3,5H3
InChIKeyMJGISQDNMLYAGI-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.45
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane?
The IUPAC name of 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane (CID 87163908) is 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane.
What is the SMILES notation for 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane?
The canonical SMILES for 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane is C=C(C)CC(CCCC)C(CC)CCC(F)CC.
What is the InChIKey of 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane?
The InChIKey is MJGISQDNMLYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F/c1-6-9-10-16(13-14(4)5)15(7-2)11-12-17(18)8-3/h15-17H,4,6-13H2,1-3,5H3.
What are the key properties of 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane?
6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane has a molecular weight of 256.45 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-fluoro-7-(2-methylprop-2-enyl)undecane is sourced from PubChem (CID 87163908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).