4-(2-ethenoxy-2-fluoroethyl)tridecane

C17H33FO — CID 142685388

IUPAC4-(2-ethenoxy-2-fluoroethyl)tridecane
SMILESC=COC(F)CC(CCC)CCCCCCCCC
InChIInChI=1S/C17H33FO/c1-4-7-8-9-10-11-12-14-16(13-5-2)15-17(18)19-6-3/h6,16-17H,3-5,7-15H2,1-2H3
InChIKeyNXUZCWNDHCMTJF-UHFFFAOYSA-N
MW272.45 g/mol
LogP6.39
Rot. Bonds14

About 4-(2-ethenoxy-2-fluoroethyl)tridecane

4-(2-ethenoxy-2-fluoroethyl)tridecane (PubChem CID 142685388) has the molecular formula C17H33FO and a molecular weight of 272.45 g/mol. Its IUPAC name is 4-(2-ethenoxy-2-fluoroethyl)tridecane.

Molecular Properties

Compound Name4-(2-ethenoxy-2-fluoroethyl)tridecane
PubChem CID142685388
Molecular FormulaC17H33FO
Molecular Weight272.45 g/mol
Exact Mass272.25
IUPAC Name4-(2-ethenoxy-2-fluoroethyl)tridecane
SMILESC=COC(F)CC(CCC)CCCCCCCCC
InChIInChI=1S/C17H33FO/c1-4-7-8-9-10-11-12-14-16(13-5-2)15-17(18)19-6-3/h6,16-17H,3-5,7-15H2,1-2H3
InChIKeyNXUZCWNDHCMTJF-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.45
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxy-2-fluoroethyl)tridecane?
The IUPAC name of 4-(2-ethenoxy-2-fluoroethyl)tridecane (CID 142685388) is 4-(2-ethenoxy-2-fluoroethyl)tridecane.
What is the SMILES notation for 4-(2-ethenoxy-2-fluoroethyl)tridecane?
The canonical SMILES for 4-(2-ethenoxy-2-fluoroethyl)tridecane is C=COC(F)CC(CCC)CCCCCCCCC.
What is the InChIKey of 4-(2-ethenoxy-2-fluoroethyl)tridecane?
The InChIKey is NXUZCWNDHCMTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO/c1-4-7-8-9-10-11-12-14-16(13-5-2)15-17(18)19-6-3/h6,16-17H,3-5,7-15H2,1-2H3.
What are the key properties of 4-(2-ethenoxy-2-fluoroethyl)tridecane?
4-(2-ethenoxy-2-fluoroethyl)tridecane has a molecular weight of 272.45 g/mol, XLogP of 6.39, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxy-2-fluoroethyl)tridecane is sourced from PubChem (CID 142685388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).