1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane

C6H6F8O — CID 98454426

IUPAC1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-4(8,5(9,10)11)2-1-3-15-6(12,13)14/h1-3H2
InChIKeyZQAFEQYJNYQKQK-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.50
Rot. Bonds4

About 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane

1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane (PubChem CID 98454426) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
PubChem CID98454426
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c7-4(8,5(9,10)11)2-1-3-15-6(12,13)14/h1-3H2
InChIKeyZQAFEQYJNYQKQK-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
CID 164552375
(2S)-2-(4,4,5,5,5-pentafluoropentoxymethyl)oxirane
CID 98041590
[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate
CID 154933847
1-fluoro-2-(trifluoromethoxy)ethane
CID 11137203
ethane;1,1,1,2,2-pentafluorohexane
CID 167481670
sodium 4,4,5,5,5-pentafluoropentane-1-thiolate
CID 59109811
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
1,1,1,2,2-pentafluoro-5-methoxysulfanylpentane
CID 168917802
3-(trifluoromethoxy)propyl dihydrogen phosphite
CID 175202397
1,1,1-trichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
CID 151300739

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane (CID 98454426) is 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane is FC(F)(F)OCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane?
The InChIKey is ZQAFEQYJNYQKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c7-4(8,5(9,10)11)2-1-3-15-6(12,13)14/h1-3H2.
What are the key properties of 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane?
1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane has a molecular weight of 246.10 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 98454426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).