3-fluoro-2,4,5-trimethylhexane

C9H19F — CID 145154755

IUPAC3-fluoro-2,4,5-trimethylhexane
SMILESCC(C)C(C)C(F)C(C)C
InChIInChI=1S/C9H19F/c1-6(2)8(5)9(10)7(3)4/h6-9H,1-5H3
InChIKeyWPQJSEXAQSJDDD-UHFFFAOYSA-N
MW146.25 g/mol
LogP3.27
Rot. Bonds3

About 3-fluoro-2,4,5-trimethylhexane

3-fluoro-2,4,5-trimethylhexane (PubChem CID 145154755) has the molecular formula C9H19F and a molecular weight of 146.25 g/mol. Its IUPAC name is 3-fluoro-2,4,5-trimethylhexane.

Molecular Properties

Compound Name3-fluoro-2,4,5-trimethylhexane
PubChem CID145154755
Molecular FormulaC9H19F
Molecular Weight146.25 g/mol
Exact Mass146.15
IUPAC Name3-fluoro-2,4,5-trimethylhexane
SMILESCC(C)C(C)C(F)C(C)C
InChIInChI=1S/C9H19F/c1-6(2)8(5)9(10)7(3)4/h6-9H,1-5H3
InChIKeyWPQJSEXAQSJDDD-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,4,5-trimethylhexane?
The IUPAC name of 3-fluoro-2,4,5-trimethylhexane (CID 145154755) is 3-fluoro-2,4,5-trimethylhexane.
What is the SMILES notation for 3-fluoro-2,4,5-trimethylhexane?
The canonical SMILES for 3-fluoro-2,4,5-trimethylhexane is CC(C)C(C)C(F)C(C)C.
What is the InChIKey of 3-fluoro-2,4,5-trimethylhexane?
The InChIKey is WPQJSEXAQSJDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F/c1-6(2)8(5)9(10)7(3)4/h6-9H,1-5H3.
What are the key properties of 3-fluoro-2,4,5-trimethylhexane?
3-fluoro-2,4,5-trimethylhexane has a molecular weight of 146.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,4,5-trimethylhexane is sourced from PubChem (CID 145154755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).