3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane

C11H12ClFO — CID 156576161

IUPAC3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
SMILESCc1ccc(F)c(C2(CCl)COC2)c1
InChIInChI=1S/C11H12ClFO/c1-8-2-3-10(13)9(4-8)11(5-12)6-14-7-11/h2-4H,5-7H2,1H3
InChIKeyANIJIWILMXCNQP-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.64
Rot. Bonds2

About 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane

3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane (PubChem CID 156576161) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane.

Molecular Properties

Compound Name3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
PubChem CID156576161
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
SMILESCc1ccc(F)c(C2(CCl)COC2)c1
InChIInChI=1S/C11H12ClFO/c1-8-2-3-10(13)9(4-8)11(5-12)6-14-7-11/h2-4H,5-7H2,1H3
InChIKeyANIJIWILMXCNQP-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane?
The IUPAC name of 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane (CID 156576161) is 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane.
What is the SMILES notation for 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane?
The canonical SMILES for 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane is Cc1ccc(F)c(C2(CCl)COC2)c1.
What is the InChIKey of 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane?
The InChIKey is ANIJIWILMXCNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-8-2-3-10(13)9(4-8)11(5-12)6-14-7-11/h2-4H,5-7H2,1H3.
What are the key properties of 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane?
3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane has a molecular weight of 214.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane is sourced from PubChem (CID 156576161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).