8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol

C16H26F8O — CID 89292991

IUPAC8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
SMILESCC(O)CC(C)CC(C)CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C16H26F8O/c1-10(6-12(3)25)5-11(2)7-14(18,19)9-15(20,21)8-13(4,17)16(22,23)24/h10-12,25H,5-9H2,1-4H3
InChIKeyANOJMRWWLLWXND-UHFFFAOYSA-N
MW386.37 g/mol
LogP6.15
Rot. Bonds10

About 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol

8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol (PubChem CID 89292991) has the molecular formula C16H26F8O and a molecular weight of 386.37 g/mol. Its IUPAC name is 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol.

Molecular Properties

Compound Name8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
PubChem CID89292991
Molecular FormulaC16H26F8O
Molecular Weight386.37 g/mol
Exact Mass386.19
IUPAC Name8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol
SMILESCC(O)CC(C)CC(C)CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F
InChIInChI=1S/C16H26F8O/c1-10(6-12(3)25)5-11(2)7-14(18,19)9-15(20,21)8-13(4,17)16(22,23)24/h10-12,25H,5-9H2,1-4H3
InChIKeyANOJMRWWLLWXND-UHFFFAOYSA-N
XLogP6.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.37
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol?
The IUPAC name of 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol (CID 89292991) is 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol.
What is the SMILES notation for 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol?
The canonical SMILES for 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol is CC(O)CC(C)CC(C)CC(F)(F)CC(F)(F)CC(C)(F)C(F)(F)F.
What is the InChIKey of 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol?
The InChIKey is ANOJMRWWLLWXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F8O/c1-10(6-12(3)25)5-11(2)7-14(18,19)9-15(20,21)8-13(4,17)16(22,23)24/h10-12,25H,5-9H2,1-4H3.
What are the key properties of 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol?
8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol has a molecular weight of 386.37 g/mol, XLogP of 6.15, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,10,10,12,13,13,13-octafluoro-4,6,12-trimethyltridecan-2-ol is sourced from PubChem (CID 89292991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).