3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene

C12H20F2O — CID 87198965

IUPAC3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(OC(=C)C(F)CCC)C(F)CCC
InChIInChI=1S/C12H20F2O/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-12H,3-8H2,1-2H3
InChIKeyRMCKWKAKHJGENI-UHFFFAOYSA-N
MW218.29 g/mol
LogP4.31
Rot. Bonds8

About 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene

3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene (PubChem CID 87198965) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene.

Molecular Properties

Compound Name3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene
PubChem CID87198965
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene
SMILESC=C(OC(=C)C(F)CCC)C(F)CCC
InChIInChI=1S/C12H20F2O/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-12H,3-8H2,1-2H3
InChIKeyRMCKWKAKHJGENI-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 54.31
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 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene?
The IUPAC name of 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene (CID 87198965) is 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene.
What is the SMILES notation for 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene?
The canonical SMILES for 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene is C=C(OC(=C)C(F)CCC)C(F)CCC.
What is the InChIKey of 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene?
The InChIKey is RMCKWKAKHJGENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-5-7-11(13)9(3)15-10(4)12(14)8-6-2/h11-12H,3-8H2,1-2H3.
What are the key properties of 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene?
3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene has a molecular weight of 218.29 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene is sourced from PubChem (CID 87198965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).