3-(2,2-dimethylpropyl)-3-fluorooxetane

C8H15FO — CID 130399695

IUPAC3-(2,2-dimethylpropyl)-3-fluorooxetane
SMILESCC(C)(C)CC1(F)COC1
InChIInChI=1S/C8H15FO/c1-7(2,3)4-8(9)5-10-6-8/h4-6H2,1-3H3
InChIKeyMIMIWPMCWFRVBG-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.16
Rot. Bonds1

About 3-(2,2-dimethylpropyl)-3-fluorooxetane

3-(2,2-dimethylpropyl)-3-fluorooxetane (PubChem CID 130399695) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-fluorooxetane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-fluorooxetane
PubChem CID130399695
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name3-(2,2-dimethylpropyl)-3-fluorooxetane
SMILESCC(C)(C)CC1(F)COC1
InChIInChI=1S/C8H15FO/c1-7(2,3)4-8(9)5-10-6-8/h4-6H2,1-3H3
InChIKeyMIMIWPMCWFRVBG-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-fluorooxetane?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-fluorooxetane (CID 130399695) is 3-(2,2-dimethylpropyl)-3-fluorooxetane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-fluorooxetane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-fluorooxetane is CC(C)(C)CC1(F)COC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-fluorooxetane?
The InChIKey is MIMIWPMCWFRVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-7(2,3)4-8(9)5-10-6-8/h4-6H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-fluorooxetane?
3-(2,2-dimethylpropyl)-3-fluorooxetane has a molecular weight of 146.20 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-fluorooxetane is sourced from PubChem (CID 130399695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).