6-(3-fluoropropyl)-6-methyldodecane

C16H33F — CID 137470516

IUPAC6-(3-fluoropropyl)-6-methyldodecane
SMILESCCCCCCC(C)(CCCF)CCCCC
InChIInChI=1S/C16H33F/c1-4-6-8-10-13-16(3,14-11-15-17)12-9-7-5-2/h4-15H2,1-3H3
InChIKeyLPBOXJYXVAZKJR-UHFFFAOYSA-N
MW244.44 g/mol
LogP6.29
Rot. Bonds12

About 6-(3-fluoropropyl)-6-methyldodecane

6-(3-fluoropropyl)-6-methyldodecane (PubChem CID 137470516) has the molecular formula C16H33F and a molecular weight of 244.44 g/mol. Its IUPAC name is 6-(3-fluoropropyl)-6-methyldodecane.

Molecular Properties

Compound Name6-(3-fluoropropyl)-6-methyldodecane
PubChem CID137470516
Molecular FormulaC16H33F
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name6-(3-fluoropropyl)-6-methyldodecane
SMILESCCCCCCC(C)(CCCF)CCCCC
InChIInChI=1S/C16H33F/c1-4-6-8-10-13-16(3,14-11-15-17)12-9-7-5-2/h4-15H2,1-3H3
InChIKeyLPBOXJYXVAZKJR-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 56.29
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

11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
5-butyl-5-methylpentadecane
CID 174700907
4-methyl-4-propylnonane
CID 54241684
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
7-(3-chloropropyl)-7-methyltridecane
CID 135291324
6-methyl-6-pentylundecane-1,11-diol
CID 87660447
4-methyl-4-octyldodecan-1-ol
CID 87375187
1-fluorododecane;hexane
CID 174651345
1-fluoroheptatriacontane
CID 54496561

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoropropyl)-6-methyldodecane?
The IUPAC name of 6-(3-fluoropropyl)-6-methyldodecane (CID 137470516) is 6-(3-fluoropropyl)-6-methyldodecane.
What is the SMILES notation for 6-(3-fluoropropyl)-6-methyldodecane?
The canonical SMILES for 6-(3-fluoropropyl)-6-methyldodecane is CCCCCCC(C)(CCCF)CCCCC.
What is the InChIKey of 6-(3-fluoropropyl)-6-methyldodecane?
The InChIKey is LPBOXJYXVAZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F/c1-4-6-8-10-13-16(3,14-11-15-17)12-9-7-5-2/h4-15H2,1-3H3.
What are the key properties of 6-(3-fluoropropyl)-6-methyldodecane?
6-(3-fluoropropyl)-6-methyldodecane has a molecular weight of 244.44 g/mol, XLogP of 6.29, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoropropyl)-6-methyldodecane is sourced from PubChem (CID 137470516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).