1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane

C16H17F17O — CID 18787828

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
SMILESCC(C)CC(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F17O/c1-7(2)6-8(3)34-5-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,4-6H2,1-3H3
InChIKeyOJBZWVNEHIQWGG-UHFFFAOYSA-N
MW548.28 g/mol
LogP7.84
Rot. Bonds12

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane (PubChem CID 18787828) has the molecular formula C16H17F17O and a molecular weight of 548.28 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
PubChem CID18787828
Molecular FormulaC16H17F17O
Molecular Weight548.28 g/mol
Exact Mass548.10
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane
SMILESCC(C)CC(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H17F17O/c1-7(2)6-8(3)34-5-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,4-6H2,1-3H3
InChIKeyOJBZWVNEHIQWGG-UHFFFAOYSA-N
XLogP7.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.28
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
Difluorothromboxane
CID 129674200
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-Hexacosafluoro-13-methyltetradecyl)oxirane
CID 18702704
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-Tetracosafluoro-12-methyltridecyl)oxirane
CID 18702706
(3-Ethoxy-1,1,2,2,3,3-hexafluoropropyl)cyclohexane
CID 18725571
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(3,5,5-trimethylhexyl) ether
CID 18787822
(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)(3,5,5-trimethylhexyl) ether
CID 18787824
1-(3,3,4,4,4-Pentafluorobutan-2-yloxy)decane
CID 19782012
1,1,1,2-Tetrafluoro-3-(1,1,1,2-tetrafluorooctan-3-yloxy)octane
CID 21511544
1,1,1-Trifluoro-2-(octoxymethyl)heptane
CID 22002805
1-[2-(Trifluoromethyl)butoxy]octane
CID 22002869

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane (CID 18787828) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane is CC(C)CC(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane?
The InChIKey is OJBZWVNEHIQWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F17O/c1-7(2)6-8(3)34-5-4-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,4-6H2,1-3H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane has a molecular weight of 548.28 g/mol, XLogP of 7.84, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-(4-methylpentan-2-yloxy)decane is sourced from PubChem (CID 18787828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).