1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane

C11H23FO2 — CID 90383711

IUPAC1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane
SMILESCOC(CF)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H23FO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3
InChIKeyOSQJQEFNUSQAJB-UHFFFAOYSA-N
MW206.30 g/mol
LogP2.81
Rot. Bonds6

About 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane

1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane (PubChem CID 90383711) has the molecular formula C11H23FO2 and a molecular weight of 206.30 g/mol. Its IUPAC name is 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane.

Molecular Properties

Compound Name1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane
PubChem CID90383711
Molecular FormulaC11H23FO2
Molecular Weight206.30 g/mol
Exact Mass206.17
IUPAC Name1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane
SMILESCOC(CF)C(C)(C)CC(C)(C)OC
InChIInChI=1S/C11H23FO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3
InChIKeyOSQJQEFNUSQAJB-UHFFFAOYSA-N
XLogP2.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane?
The IUPAC name of 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane (CID 90383711) is 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane.
What is the SMILES notation for 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane?
The canonical SMILES for 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane is COC(CF)C(C)(C)CC(C)(C)OC.
What is the InChIKey of 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane?
The InChIKey is OSQJQEFNUSQAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FO2/c1-10(2,9(7-12)13-5)8-11(3,4)14-6/h9H,7-8H2,1-6H3.
What are the key properties of 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane?
1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane has a molecular weight of 206.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane is sourced from PubChem (CID 90383711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).