3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane

C19H39F — CID 130342760

IUPAC3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane
SMILESCCCC(C)(C)C(C)(C)C(C)(C)C(C)(CC)C(C)(C)F
InChIInChI=1S/C19H39F/c1-12-14-15(3,4)16(5,6)17(7,8)19(11,13-2)18(9,10)20/h12-14H2,1-11H3
InChIKeySMOSXTLIJYQBIQ-UHFFFAOYSA-N
MW286.52 g/mol
LogP7.03
Rot. Bonds7

About 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane

3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane (PubChem CID 130342760) has the molecular formula C19H39F and a molecular weight of 286.52 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane.

Molecular Properties

Compound Name3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane
PubChem CID130342760
Molecular FormulaC19H39F
Molecular Weight286.52 g/mol
Exact Mass286.30
IUPAC Name3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane
SMILESCCCC(C)(C)C(C)(C)C(C)(C)C(C)(CC)C(C)(C)F
InChIInChI=1S/C19H39F/c1-12-14-15(3,4)16(5,6)17(7,8)19(11,13-2)18(9,10)20/h12-14H2,1-11H3
InChIKeySMOSXTLIJYQBIQ-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.52
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane?
The IUPAC name of 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane (CID 130342760) is 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane.
What is the SMILES notation for 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane?
The canonical SMILES for 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane is CCCC(C)(C)C(C)(C)C(C)(C)C(C)(CC)C(C)(C)F.
What is the InChIKey of 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane?
The InChIKey is SMOSXTLIJYQBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39F/c1-12-14-15(3,4)16(5,6)17(7,8)19(11,13-2)18(9,10)20/h12-14H2,1-11H3.
What are the key properties of 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane?
3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane has a molecular weight of 286.52 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-2,3,4,4,5,5,6,6-octamethylnonane is sourced from PubChem (CID 130342760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).