6-fluoro-2,6-dimethylundecane

C13H27F — CID 155274662

IUPAC6-fluoro-2,6-dimethylundecane
SMILESCCCCCC(C)(F)CCCC(C)C
InChIInChI=1S/C13H27F/c1-5-6-7-10-13(4,14)11-8-9-12(2)3/h12H,5-11H2,1-4H3
InChIKeyYGVKJTIMCFBVFT-UHFFFAOYSA-N
MW202.36 g/mol
LogP5.12
Rot. Bonds8

About 6-fluoro-2,6-dimethylundecane

6-fluoro-2,6-dimethylundecane (PubChem CID 155274662) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is 6-fluoro-2,6-dimethylundecane.

Molecular Properties

Compound Name6-fluoro-2,6-dimethylundecane
PubChem CID155274662
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Name6-fluoro-2,6-dimethylundecane
SMILESCCCCCC(C)(F)CCCC(C)C
InChIInChI=1S/C13H27F/c1-5-6-7-10-13(4,14)11-8-9-12(2)3/h12H,5-11H2,1-4H3
InChIKeyYGVKJTIMCFBVFT-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500202.36
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylhexane;1,1,1-trifluoroethane
CID 157031744
5-fluoro-2-methyldecan-5-ol
CID 139754865
2,2-dimethylpropane;ethane;2-methylheptane
CID 143493212
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
6,6-dibutyl-2-methyldecane
CID 150480915
6-butyl-2,10-dimethyl-6-(4-methylpentyl)undecane
CID 157290295
6,6-difluoro-2,10-dimethylundecane
CID 169289858
cobalt;2-methylheptane
CID 175521472
ethane;hexane;2-methylhexane
CID 142051007
λ2-plumbane;2-methylheptane
CID 175297432
bis(2-methylheptane);propane
CID 158714851
2-methyldecane
CID 23415

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,6-dimethylundecane?
The IUPAC name of 6-fluoro-2,6-dimethylundecane (CID 155274662) is 6-fluoro-2,6-dimethylundecane.
What is the SMILES notation for 6-fluoro-2,6-dimethylundecane?
The canonical SMILES for 6-fluoro-2,6-dimethylundecane is CCCCCC(C)(F)CCCC(C)C.
What is the InChIKey of 6-fluoro-2,6-dimethylundecane?
The InChIKey is YGVKJTIMCFBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F/c1-5-6-7-10-13(4,14)11-8-9-12(2)3/h12H,5-11H2,1-4H3.
What are the key properties of 6-fluoro-2,6-dimethylundecane?
6-fluoro-2,6-dimethylundecane has a molecular weight of 202.36 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,6-dimethylundecane is sourced from PubChem (CID 155274662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).