3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane

C9H17FO — CID 146411171

IUPAC3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane
SMILESCC(C)C1(C(C)(C)F)COC1
InChIInChI=1S/C9H17FO/c1-7(2)9(5-11-6-9)8(3,4)10/h7H,5-6H2,1-4H3
InChIKeyUPJSTAXEUOTFMX-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.41
Rot. Bonds2

About 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane

3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane (PubChem CID 146411171) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane
PubChem CID146411171
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane
SMILESCC(C)C1(C(C)(C)F)COC1
InChIInChI=1S/C9H17FO/c1-7(2)9(5-11-6-9)8(3,4)10/h7H,5-6H2,1-4H3
InChIKeyUPJSTAXEUOTFMX-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane?
The IUPAC name of 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane (CID 146411171) is 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane is CC(C)C1(C(C)(C)F)COC1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane?
The InChIKey is UPJSTAXEUOTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(2)9(5-11-6-9)8(3,4)10/h7H,5-6H2,1-4H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane?
3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane has a molecular weight of 160.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-3-propan-2-yloxetane is sourced from PubChem (CID 146411171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).