1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane

C12H9F17 — CID 19889165

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane
SMILESCC(C)(C)C(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/C12H9F17/c1-4(2,3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H3
InChIKeyYOYQIDCGTNOXQJ-UHFFFAOYSA-N
MW476.17 g/mol
LogP7.04
Rot. Bonds6

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane (PubChem CID 19889165) has the molecular formula C12H9F17 and a molecular weight of 476.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane
PubChem CID19889165
Molecular FormulaC12H9F17
Molecular Weight476.17 g/mol
Exact Mass476.04
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane
SMILESCC(C)(C)C(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/C12H9F17/c1-4(2,3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H3
InChIKeyYOYQIDCGTNOXQJ-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.17
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-(Perfluorohexyl)-2-methylpropane
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1,1,1,2,2,3,3,4,4-Nonafluoro-7-methyloctane
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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-11-methyldodecane
CID 20576124
9-Ethyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-methyldodecane
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CID 129811954
Nonafluorodimethylhexane
CID 177845969
Nonane, 1,1,1,2,3,3,7,7,8,9,9,9-dodecafluoro-4-methyl-
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CID 15576974

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-9,9-dimethyldecane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane (CID 19889165) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane is CC(C)(C)C(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-9,9-dimethyldecane?
The InChIKey is YOYQIDCGTNOXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F17/c1-4(2,3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h1-3H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-9,9-dimethyldecane has a molecular weight of 476.17 g/mol, XLogP of 7.04, 6 rotatable bonds, 0 hydrogen bond donors, and 0 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-9,9-dimethyldecane is sourced from PubChem (CID 19889165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).