3-(3-fluoropropyl)-3-propan-2-yloxetane

C9H17FO — CID 176664022

IUPAC3-(3-fluoropropyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CCCF)COC1
InChIInChI=1S/C9H17FO/c1-8(2)9(4-3-5-10)6-11-7-9/h8H,3-7H2,1-2H3
InChIKeyOTUWUXDMYRFDKA-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.41
Rot. Bonds4

About 3-(3-fluoropropyl)-3-propan-2-yloxetane

3-(3-fluoropropyl)-3-propan-2-yloxetane (PubChem CID 176664022) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(3-fluoropropyl)-3-propan-2-yloxetane.

Molecular Properties

Compound Name3-(3-fluoropropyl)-3-propan-2-yloxetane
PubChem CID176664022
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(3-fluoropropyl)-3-propan-2-yloxetane
SMILESCC(C)C1(CCCF)COC1
InChIInChI=1S/C9H17FO/c1-8(2)9(4-3-5-10)6-11-7-9/h8H,3-7H2,1-2H3
InChIKeyOTUWUXDMYRFDKA-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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

Analyze 3-(3-fluoropropyl)-3-propan-2-yloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropyl)-3-propan-2-yloxetane?
The IUPAC name of 3-(3-fluoropropyl)-3-propan-2-yloxetane (CID 176664022) is 3-(3-fluoropropyl)-3-propan-2-yloxetane.
What is the SMILES notation for 3-(3-fluoropropyl)-3-propan-2-yloxetane?
The canonical SMILES for 3-(3-fluoropropyl)-3-propan-2-yloxetane is CC(C)C1(CCCF)COC1.
What is the InChIKey of 3-(3-fluoropropyl)-3-propan-2-yloxetane?
The InChIKey is OTUWUXDMYRFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-8(2)9(4-3-5-10)6-11-7-9/h8H,3-7H2,1-2H3.
What are the key properties of 3-(3-fluoropropyl)-3-propan-2-yloxetane?
3-(3-fluoropropyl)-3-propan-2-yloxetane has a molecular weight of 160.23 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropyl)-3-propan-2-yloxetane is sourced from PubChem (CID 176664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).