5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane

C18H35FO2 — CID 174252065

IUPAC5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane
SMILESC=C(CF)OCCOCCC(CCCC)CCCCCC
InChIInChI=1S/C18H35FO2/c1-4-6-8-9-11-18(10-7-5-2)12-13-20-14-15-21-17(3)16-19/h18H,3-16H2,1-2H3
InChIKeyMFMCLHXHDHLPSY-UHFFFAOYSA-N
MW302.47 g/mol
LogP5.67
Rot. Bonds16

About 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane

5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane (PubChem CID 174252065) has the molecular formula C18H35FO2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane.

Molecular Properties

Compound Name5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane
PubChem CID174252065
Molecular FormulaC18H35FO2
Molecular Weight302.47 g/mol
Exact Mass302.26
IUPAC Name5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane
SMILESC=C(CF)OCCOCCC(CCCC)CCCCCC
InChIInChI=1S/C18H35FO2/c1-4-6-8-9-11-18(10-7-5-2)12-13-20-14-15-21-17(3)16-19/h18H,3-16H2,1-2H3
InChIKeyMFMCLHXHDHLPSY-UHFFFAOYSA-N
XLogP5.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane?
The IUPAC name of 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane (CID 174252065) is 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane.
What is the SMILES notation for 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane?
The canonical SMILES for 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane is C=C(CF)OCCOCCC(CCCC)CCCCCC.
What is the InChIKey of 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane?
The InChIKey is MFMCLHXHDHLPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FO2/c1-4-6-8-9-11-18(10-7-5-2)12-13-20-14-15-21-17(3)16-19/h18H,3-16H2,1-2H3.
What are the key properties of 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane?
5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane has a molecular weight of 302.47 g/mol, XLogP of 5.67, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-fluoroprop-1-en-2-yloxy)ethoxy]ethyl]undecane is sourced from PubChem (CID 174252065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).