1-(2-fluoroprop-1-enoxy)dodecane

C15H29FO — CID 152831642

IUPAC1-(2-fluoroprop-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(C)F
InChIInChI=1S/C15H29FO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h14H,3-13H2,1-2H3
InChIKeySWIBKSNLZYTQOJ-UHFFFAOYSA-N
MW244.39 g/mol
LogP5.75
Rot. Bonds12

About 1-(2-fluoroprop-1-enoxy)dodecane

1-(2-fluoroprop-1-enoxy)dodecane (PubChem CID 152831642) has the molecular formula C15H29FO and a molecular weight of 244.39 g/mol. Its IUPAC name is 1-(2-fluoroprop-1-enoxy)dodecane.

Molecular Properties

Compound Name1-(2-fluoroprop-1-enoxy)dodecane
PubChem CID152831642
Molecular FormulaC15H29FO
Molecular Weight244.39 g/mol
Exact Mass244.22
IUPAC Name1-(2-fluoroprop-1-enoxy)dodecane
SMILESCCCCCCCCCCCCOC=C(C)F
InChIInChI=1S/C15H29FO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h14H,3-13H2,1-2H3
InChIKeySWIBKSNLZYTQOJ-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.39
LogP ≤ 55.75
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 1-(2-fluoroprop-1-enoxy)dodecane?
The IUPAC name of 1-(2-fluoroprop-1-enoxy)dodecane (CID 152831642) is 1-(2-fluoroprop-1-enoxy)dodecane.
What is the SMILES notation for 1-(2-fluoroprop-1-enoxy)dodecane?
The canonical SMILES for 1-(2-fluoroprop-1-enoxy)dodecane is CCCCCCCCCCCCOC=C(C)F.
What is the InChIKey of 1-(2-fluoroprop-1-enoxy)dodecane?
The InChIKey is SWIBKSNLZYTQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FO/c1-3-4-5-6-7-8-9-10-11-12-13-17-14-15(2)16/h14H,3-13H2,1-2H3.
What are the key properties of 1-(2-fluoroprop-1-enoxy)dodecane?
1-(2-fluoroprop-1-enoxy)dodecane has a molecular weight of 244.39 g/mol, XLogP of 5.75, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroprop-1-enoxy)dodecane is sourced from PubChem (CID 152831642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).