1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane

C6H3F11O — CID 23233647

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(8)4(11,12)5(13,14)3(9,10)1-18-6(15,16)17/h2H,1H2
InChIKeyCOPWMXZKVPDZDF-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.69
Rot. Bonds5

About 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane

1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane (PubChem CID 23233647) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
PubChem CID23233647
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(8)4(11,12)5(13,14)3(9,10)1-18-6(15,16)17/h2H,1H2
InChIKeyCOPWMXZKVPDZDF-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane (CID 23233647) is 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane is FC(F)C(F)(F)C(F)(F)C(F)(F)COC(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
The InChIKey is COPWMXZKVPDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c7-2(8)4(11,12)5(13,14)3(9,10)1-18-6(15,16)17/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane?
1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane has a molecular weight of 300.07 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 23233647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).