3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine

C10H20FNO2 — CID 146595816

IUPAC3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCOCC1(F)CN(CCOC(C)C)C1
InChIInChI=1S/C10H20FNO2/c1-9(2)14-5-4-12-6-10(11,7-12)8-13-3/h9H,4-8H2,1-3H3
InChIKeyXJOSXWCKKQKRFT-UHFFFAOYSA-N
MW205.27 g/mol
LogP1.08
Rot. Bonds6

About 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine

3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine (PubChem CID 146595816) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
PubChem CID146595816
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
SMILESCOCC1(F)CN(CCOC(C)C)C1
InChIInChI=1S/C10H20FNO2/c1-9(2)14-5-4-12-6-10(11,7-12)8-13-3/h9H,4-8H2,1-3H3
InChIKeyXJOSXWCKKQKRFT-UHFFFAOYSA-N
XLogP1.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine (CID 146595816) is 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine is COCC1(F)CN(CCOC(C)C)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
The InChIKey is XJOSXWCKKQKRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-9(2)14-5-4-12-6-10(11,7-12)8-13-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine?
3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine has a molecular weight of 205.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine is sourced from PubChem (CID 146595816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).