3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane

C10H15F7O2 — CID 59874925

IUPAC3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane
SMILESCCCC(CC)OC(F)(F)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-3-5-7(4-2)19-10(16,17)8(12,18-6-11)9(13,14)15/h7H,3-6H2,1-2H3
InChIKeySIRLUHJTYZZYCA-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.35
Rot. Bonds8

About 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane

3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane (PubChem CID 59874925) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane.

Molecular Properties

Compound Name3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane
PubChem CID59874925
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane
SMILESCCCC(CC)OC(F)(F)C(F)(OCF)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-3-5-7(4-2)19-10(16,17)8(12,18-6-11)9(13,14)15/h7H,3-6H2,1-2H3
InChIKeySIRLUHJTYZZYCA-UHFFFAOYSA-N
XLogP4.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane?
The IUPAC name of 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane (CID 59874925) is 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane.
What is the SMILES notation for 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane?
The canonical SMILES for 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane is CCCC(CC)OC(F)(F)C(F)(OCF)C(F)(F)F.
What is the InChIKey of 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane?
The InChIKey is SIRLUHJTYZZYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c1-3-5-7(4-2)19-10(16,17)8(12,18-6-11)9(13,14)15/h7H,3-6H2,1-2H3.
What are the key properties of 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane?
3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane has a molecular weight of 300.21 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,3,3,3-hexafluoro-2-(fluoromethoxy)propoxy]hexane is sourced from PubChem (CID 59874925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).