1-fluoro-4-(6-fluorohexan-3-yloxy)hexane

C12H24F2O — CID 87765078

IUPAC1-fluoro-4-(6-fluorohexan-3-yloxy)hexane
SMILESCCC(CCCF)OC(CC)CCCF
InChIInChI=1S/C12H24F2O/c1-3-11(7-5-9-13)15-12(4-2)8-6-10-14/h11-12H,3-10H2,1-2H3
InChIKeyWLNBBZIYDORISX-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.06
Rot. Bonds10

About 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane

1-fluoro-4-(6-fluorohexan-3-yloxy)hexane (PubChem CID 87765078) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane.

Molecular Properties

Compound Name1-fluoro-4-(6-fluorohexan-3-yloxy)hexane
PubChem CID87765078
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name1-fluoro-4-(6-fluorohexan-3-yloxy)hexane
SMILESCCC(CCCF)OC(CC)CCCF
InChIInChI=1S/C12H24F2O/c1-3-11(7-5-9-13)15-12(4-2)8-6-10-14/h11-12H,3-10H2,1-2H3
InChIKeyWLNBBZIYDORISX-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane?
The IUPAC name of 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane (CID 87765078) is 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane.
What is the SMILES notation for 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane?
The canonical SMILES for 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane is CCC(CCCF)OC(CC)CCCF.
What is the InChIKey of 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane?
The InChIKey is WLNBBZIYDORISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O/c1-3-11(7-5-9-13)15-12(4-2)8-6-10-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane?
1-fluoro-4-(6-fluorohexan-3-yloxy)hexane has a molecular weight of 222.32 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(6-fluorohexan-3-yloxy)hexane is sourced from PubChem (CID 87765078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).