3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine

C8H16FNO — CID 165149910

IUPAC3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
SMILESCOCC1(F)CN(C(C)C)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-8(9,5-10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyXJUPJYQAQGWDIB-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds3

About 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine

3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine (PubChem CID 165149910) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
PubChem CID165149910
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
SMILESCOCC1(F)CN(C(C)C)C1
InChIInChI=1S/C8H16FNO/c1-7(2)10-4-8(9,5-10)6-11-3/h7H,4-6H2,1-3H3
InChIKeyXJUPJYQAQGWDIB-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine (CID 165149910) is 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine is COCC1(F)CN(C(C)C)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine?
The InChIKey is XJUPJYQAQGWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2)10-4-8(9,5-10)6-11-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine?
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 165149910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).