4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane

C13H20F8 — CID 58292446

IUPAC4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(C)C
InChIInChI=1S/C13H20F8/c1-4-10(14,15)6-12(18,19)8-13(20,21)7-11(16,17)5-9(2)3/h9H,4-8H2,1-3H3
InChIKeySZSGWDBTBRCCFV-UHFFFAOYSA-N
MW328.29 g/mol
LogP6.15
Rot. Bonds9

About 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane

4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane (PubChem CID 58292446) has the molecular formula C13H20F8 and a molecular weight of 328.29 g/mol. Its IUPAC name is 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane.

Molecular Properties

Compound Name4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
PubChem CID58292446
Molecular FormulaC13H20F8
Molecular Weight328.29 g/mol
Exact Mass328.14
IUPAC Name4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(C)C
InChIInChI=1S/C13H20F8/c1-4-10(14,15)6-12(18,19)8-13(20,21)7-11(16,17)5-9(2)3/h9H,4-8H2,1-3H3
InChIKeySZSGWDBTBRCCFV-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane?
The IUPAC name of 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane (CID 58292446) is 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane.
What is the SMILES notation for 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane?
The canonical SMILES for 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane is CCC(F)(F)CC(F)(F)CC(F)(F)CC(F)(F)CC(C)C.
What is the InChIKey of 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane?
The InChIKey is SZSGWDBTBRCCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F8/c1-4-10(14,15)6-12(18,19)8-13(20,21)7-11(16,17)5-9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane?
4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane has a molecular weight of 328.29 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6,8,8,10,10-octafluoro-2-methyldodecane is sourced from PubChem (CID 58292446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).