3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane

C16H26F8 — CID 171742432

IUPAC3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
SMILESCC(C)(C)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(C)(C)C
InChIInChI=1S/C16H26F8/c1-11(2,3)7-13(17,18)8-14(19,20)9-15(21,22)10-16(23,24)12(4,5)6/h7-10H2,1-6H3
InChIKeyHYTYSJXIDVVNSN-UHFFFAOYSA-N
MW370.37 g/mol
LogP7.18
Rot. Bonds7

About 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane

3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane (PubChem CID 171742432) has the molecular formula C16H26F8 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane.

Molecular Properties

Compound Name3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
PubChem CID171742432
Molecular FormulaC16H26F8
Molecular Weight370.37 g/mol
Exact Mass370.19
IUPAC Name3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane
SMILESCC(C)(C)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(C)(C)C
InChIInChI=1S/C16H26F8/c1-11(2,3)7-13(17,18)8-14(19,20)9-15(21,22)10-16(23,24)12(4,5)6/h7-10H2,1-6H3
InChIKeyHYTYSJXIDVVNSN-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane?
The IUPAC name of 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane (CID 171742432) is 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane.
What is the SMILES notation for 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane?
The canonical SMILES for 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane is CC(C)(C)CC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)C(C)(C)C.
What is the InChIKey of 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane?
The InChIKey is HYTYSJXIDVVNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F8/c1-11(2,3)7-13(17,18)8-14(19,20)9-15(21,22)10-16(23,24)12(4,5)6/h7-10H2,1-6H3.
What are the key properties of 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane?
3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane has a molecular weight of 370.37 g/mol, XLogP of 7.18, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,7,7,9,9-octafluoro-2,2,11,11-tetramethyldodecane is sourced from PubChem (CID 171742432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).