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

C8H15FO — CID 171470565

IUPAC2-(2,2-dimethylpropyl)-2-fluorooxetane
SMILESCC(C)(C)CC1(F)CCO1
InChIInChI=1S/C8H15FO/c1-7(2,3)6-8(9)4-5-10-8/h4-6H2,1-3H3
InChIKeyYVVHYGUKHKZSRB-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.51
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-2-fluorooxetane (PubChem CID 171470565) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-2-fluorooxetane.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-2-fluorooxetane
PubChem CID171470565
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name2-(2,2-dimethylpropyl)-2-fluorooxetane
SMILESCC(C)(C)CC1(F)CCO1
InChIInChI=1S/C8H15FO/c1-7(2,3)6-8(9)4-5-10-8/h4-6H2,1-3H3
InChIKeyYVVHYGUKHKZSRB-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-2-fluorooxetane?
The IUPAC name of 2-(2,2-dimethylpropyl)-2-fluorooxetane (CID 171470565) is 2-(2,2-dimethylpropyl)-2-fluorooxetane.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-2-fluorooxetane?
The canonical SMILES for 2-(2,2-dimethylpropyl)-2-fluorooxetane is CC(C)(C)CC1(F)CCO1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-2-fluorooxetane?
The InChIKey is YVVHYGUKHKZSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-7(2,3)6-8(9)4-5-10-8/h4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-2-fluorooxetane?
2-(2,2-dimethylpropyl)-2-fluorooxetane has a molecular weight of 146.20 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-2-fluorooxetane is sourced from PubChem (CID 171470565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).