2-tert-butyl-5-fluoro-4,5-dimethyloxane

C11H21FO — CID 170179077

IUPAC2-tert-butyl-5-fluoro-4,5-dimethyloxane
SMILESCC1CC(C(C)(C)C)OCC1(C)F
InChIInChI=1S/C11H21FO/c1-8-6-9(10(2,3)4)13-7-11(8,5)12/h8-9H,6-7H2,1-5H3
InChIKeyPZRNJQVFMAPRQY-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.19
Rot. Bonds

About 2-tert-butyl-5-fluoro-4,5-dimethyloxane

2-tert-butyl-5-fluoro-4,5-dimethyloxane (PubChem CID 170179077) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-4,5-dimethyloxane.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-4,5-dimethyloxane
PubChem CID170179077
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-tert-butyl-5-fluoro-4,5-dimethyloxane
SMILESCC1CC(C(C)(C)C)OCC1(C)F
InChIInChI=1S/C11H21FO/c1-8-6-9(10(2,3)4)13-7-11(8,5)12/h8-9H,6-7H2,1-5H3
InChIKeyPZRNJQVFMAPRQY-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-4,5-dimethyloxane?
The IUPAC name of 2-tert-butyl-5-fluoro-4,5-dimethyloxane (CID 170179077) is 2-tert-butyl-5-fluoro-4,5-dimethyloxane.
What is the SMILES notation for 2-tert-butyl-5-fluoro-4,5-dimethyloxane?
The canonical SMILES for 2-tert-butyl-5-fluoro-4,5-dimethyloxane is CC1CC(C(C)(C)C)OCC1(C)F.
What is the InChIKey of 2-tert-butyl-5-fluoro-4,5-dimethyloxane?
The InChIKey is PZRNJQVFMAPRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-8-6-9(10(2,3)4)13-7-11(8,5)12/h8-9H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-5-fluoro-4,5-dimethyloxane?
2-tert-butyl-5-fluoro-4,5-dimethyloxane has a molecular weight of 188.29 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-4,5-dimethyloxane is sourced from PubChem (CID 170179077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).