2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane

C14H27FO — CID 59848424

IUPAC2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
SMILESCC1C(CC(C)(C)C)OC(C(C)(C)C)C1F
InChIInChI=1S/C14H27FO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8H2,1-7H3
InChIKeyUICIHJAWYNHHDQ-UHFFFAOYSA-N
MW230.37 g/mol
LogP4.21
Rot. Bonds1

About 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane

2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane (PubChem CID 59848424) has the molecular formula C14H27FO and a molecular weight of 230.37 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
PubChem CID59848424
Molecular FormulaC14H27FO
Molecular Weight230.37 g/mol
Exact Mass230.20
IUPAC Name2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane
SMILESCC1C(CC(C)(C)C)OC(C(C)(C)C)C1F
InChIInChI=1S/C14H27FO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8H2,1-7H3
InChIKeyUICIHJAWYNHHDQ-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 54.21
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-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane?
The IUPAC name of 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane (CID 59848424) is 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane.
What is the SMILES notation for 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane?
The canonical SMILES for 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane is CC1C(CC(C)(C)C)OC(C(C)(C)C)C1F.
What is the InChIKey of 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane?
The InChIKey is UICIHJAWYNHHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO/c1-9-10(8-13(2,3)4)16-12(11(9)15)14(5,6)7/h9-12H,8H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane?
2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane has a molecular weight of 230.37 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2-dimethylpropyl)-3-fluoro-4-methyloxolane is sourced from PubChem (CID 59848424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).