3-(6-fluorohexoxymethyl)oxetane

C10H19FO2 — CID 21452229

IUPAC3-(6-fluorohexoxymethyl)oxetane
SMILESFCCCCCCOCC1COC1
InChIInChI=1S/C10H19FO2/c11-5-3-1-2-4-6-12-7-10-8-13-9-10/h10H,1-9H2
InChIKeyNWRZSVFMSZFWBC-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.18
Rot. Bonds8

About 3-(6-fluorohexoxymethyl)oxetane

3-(6-fluorohexoxymethyl)oxetane (PubChem CID 21452229) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 3-(6-fluorohexoxymethyl)oxetane.

Molecular Properties

Compound Name3-(6-fluorohexoxymethyl)oxetane
PubChem CID21452229
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name3-(6-fluorohexoxymethyl)oxetane
SMILESFCCCCCCOCC1COC1
InChIInChI=1S/C10H19FO2/c11-5-3-1-2-4-6-12-7-10-8-13-9-10/h10H,1-9H2
InChIKeyNWRZSVFMSZFWBC-UHFFFAOYSA-N
XLogP2.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluorohexoxymethyl)oxetane?
The IUPAC name of 3-(6-fluorohexoxymethyl)oxetane (CID 21452229) is 3-(6-fluorohexoxymethyl)oxetane.
What is the SMILES notation for 3-(6-fluorohexoxymethyl)oxetane?
The canonical SMILES for 3-(6-fluorohexoxymethyl)oxetane is FCCCCCCOCC1COC1.
What is the InChIKey of 3-(6-fluorohexoxymethyl)oxetane?
The InChIKey is NWRZSVFMSZFWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c11-5-3-1-2-4-6-12-7-10-8-13-9-10/h10H,1-9H2.
What are the key properties of 3-(6-fluorohexoxymethyl)oxetane?
3-(6-fluorohexoxymethyl)oxetane has a molecular weight of 190.26 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluorohexoxymethyl)oxetane is sourced from PubChem (CID 21452229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).