6,6-diethyl-5-fluoro-3,4-dimethyldecane

C16H33F — CID 126608201

IUPAC6,6-diethyl-5-fluoro-3,4-dimethyldecane
SMILESCCCCC(CC)(CC)C(F)C(C)C(C)CC
InChIInChI=1S/C16H33F/c1-7-11-12-16(9-3,10-4)15(17)14(6)13(5)8-2/h13-15H,7-12H2,1-6H3
InChIKeyJKYQJBGITRWHCW-UHFFFAOYSA-N
MW244.44 g/mol
LogP6.00
Rot. Bonds9

About 6,6-diethyl-5-fluoro-3,4-dimethyldecane

6,6-diethyl-5-fluoro-3,4-dimethyldecane (PubChem CID 126608201) has the molecular formula C16H33F and a molecular weight of 244.44 g/mol. Its IUPAC name is 6,6-diethyl-5-fluoro-3,4-dimethyldecane.

Molecular Properties

Compound Name6,6-diethyl-5-fluoro-3,4-dimethyldecane
PubChem CID126608201
Molecular FormulaC16H33F
Molecular Weight244.44 g/mol
Exact Mass244.26
IUPAC Name6,6-diethyl-5-fluoro-3,4-dimethyldecane
SMILESCCCCC(CC)(CC)C(F)C(C)C(C)CC
InChIInChI=1S/C16H33F/c1-7-11-12-16(9-3,10-4)15(17)14(6)13(5)8-2/h13-15H,7-12H2,1-6H3
InChIKeyJKYQJBGITRWHCW-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.44
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2-butyl-2-ethylpentane-1,3-diol
CID 18330697
2-butyl-2-ethyl-4-methylpentane-1,3-diol
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4-ethyl-4-pentylnonane-3-thiol
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3,4,5-trimethyltridecane
CID 21201053
3,4,5,6,7,8,9,10,11,12,13,14,15-tridecamethylheptadecane
CID 168768999
[2-ethyl-1-hydroxy-2-(hydroxymethyl)hexyl]-trihydroxyphosphanium
CID 87960720
5-butyl-5-ethylhenicosan-6-amine
CID 87754040
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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-5-fluoro-3,4-dimethyldecane?
The IUPAC name of 6,6-diethyl-5-fluoro-3,4-dimethyldecane (CID 126608201) is 6,6-diethyl-5-fluoro-3,4-dimethyldecane.
What is the SMILES notation for 6,6-diethyl-5-fluoro-3,4-dimethyldecane?
The canonical SMILES for 6,6-diethyl-5-fluoro-3,4-dimethyldecane is CCCCC(CC)(CC)C(F)C(C)C(C)CC.
What is the InChIKey of 6,6-diethyl-5-fluoro-3,4-dimethyldecane?
The InChIKey is JKYQJBGITRWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33F/c1-7-11-12-16(9-3,10-4)15(17)14(6)13(5)8-2/h13-15H,7-12H2,1-6H3.
What are the key properties of 6,6-diethyl-5-fluoro-3,4-dimethyldecane?
6,6-diethyl-5-fluoro-3,4-dimethyldecane has a molecular weight of 244.44 g/mol, XLogP of 6.00, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-5-fluoro-3,4-dimethyldecane is sourced from PubChem (CID 126608201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).