5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene

C14H24F2O — CID 88617189

IUPAC5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CCC(F)CC)OC(=C)CCC(F)CC
InChIInChI=1S/C14H24F2O/c1-5-13(15)9-7-11(3)17-12(4)8-10-14(16)6-2/h13-14H,3-10H2,1-2H3
InChIKeyKIBXOQCEWZAHBR-UHFFFAOYSA-N
MW246.34 g/mol
LogP5.09
Rot. Bonds10

About 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene

5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene (PubChem CID 88617189) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene
PubChem CID88617189
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene
SMILESC=C(CCC(F)CC)OC(=C)CCC(F)CC
InChIInChI=1S/C14H24F2O/c1-5-13(15)9-7-11(3)17-12(4)8-10-14(16)6-2/h13-14H,3-10H2,1-2H3
InChIKeyKIBXOQCEWZAHBR-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.34
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene (CID 88617189) is 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene is C=C(CCC(F)CC)OC(=C)CCC(F)CC.
What is the InChIKey of 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene?
The InChIKey is KIBXOQCEWZAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c1-5-13(15)9-7-11(3)17-12(4)8-10-14(16)6-2/h13-14H,3-10H2,1-2H3.
What are the key properties of 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene?
5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene has a molecular weight of 246.34 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 88617189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).