1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane

C14H20F10O2 — CID 164552375

IUPAC1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
SMILESCC(OCCCCC(F)(F)C(F)(F)F)OCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H20F10O2/c1-10(25-8-4-2-6-11(15,16)13(19,20)21)26-9-5-3-7-12(17,18)14(22,23)24/h10H,2-9H2,1H3
InChIKeyOGGFNKUJNKFGJL-UHFFFAOYSA-N
MW410.29 g/mol
LogP6.10
Rot. Bonds12

About 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane

1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane (PubChem CID 164552375) has the molecular formula C14H20F10O2 and a molecular weight of 410.29 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
PubChem CID164552375
Molecular FormulaC14H20F10O2
Molecular Weight410.29 g/mol
Exact Mass410.13
IUPAC Name1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane
SMILESCC(OCCCCC(F)(F)C(F)(F)F)OCCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H20F10O2/c1-10(25-8-4-2-6-11(15,16)13(19,20)21)26-9-5-3-7-12(17,18)14(22,23)24/h10H,2-9H2,1H3
InChIKeyOGGFNKUJNKFGJL-UHFFFAOYSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.29
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(1-methoxyethoxy)butane
CID 20578725
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-6-methylheptane
CID 20579538
18-(3,3-dimethylbutoxy)-1,1,1,2,2-pentafluorooctadecane
CID 162423589
6,6-bis(5,5,6,6,6-pentafluorohexoxy)hexanoic acid
CID 164552473
6-[(1S)-1-butoxyethoxy]-1,1,1,2,2,3,3,4,4,5,5-undecafluorohexane
CID 98454618
1,1,1,2,2-pentafluorononadecane
CID 98452406
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
1,1,1,2,2-pentafluoro-5-(trifluoromethoxy)pentane
CID 98454426
5,5,6,6,6-pentafluorohexyl butanoate
CID 175496428
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane?
The IUPAC name of 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane (CID 164552375) is 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane.
What is the SMILES notation for 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane?
The canonical SMILES for 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane is CC(OCCCCC(F)(F)C(F)(F)F)OCCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane?
The InChIKey is OGGFNKUJNKFGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F10O2/c1-10(25-8-4-2-6-11(15,16)13(19,20)21)26-9-5-3-7-12(17,18)14(22,23)24/h10H,2-9H2,1H3.
What are the key properties of 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane?
1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane has a molecular weight of 410.29 g/mol, XLogP of 6.10, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2-pentafluoro-6-[1-(5,5,6,6,6-pentafluorohexoxy)ethoxy]hexane is sourced from PubChem (CID 164552375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).