3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine

C9H16FNO — CID 156518677

IUPAC3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CN(C2COC2)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(10)5-11(6-9)8-3-12-4-8/h7-8H,3-6H2,1-2H3
InChIKeyWIGICKSTJTYLBH-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.07
Rot. Bonds2

About 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine

3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine (PubChem CID 156518677) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine
PubChem CID156518677
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine
SMILESCC(C)C1(F)CN(C2COC2)C1
InChIInChI=1S/C9H16FNO/c1-7(2)9(10)5-11(6-9)8-3-12-4-8/h7-8H,3-6H2,1-2H3
InChIKeyWIGICKSTJTYLBH-UHFFFAOYSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
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-1-(oxetan-3-yl)-3-propan-2-ylazetidine?
The IUPAC name of 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine (CID 156518677) is 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine?
The canonical SMILES for 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine is CC(C)C1(F)CN(C2COC2)C1.
What is the InChIKey of 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine?
The InChIKey is WIGICKSTJTYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)9(10)5-11(6-9)8-3-12-4-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine?
3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine has a molecular weight of 173.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxetan-3-yl)-3-propan-2-ylazetidine is sourced from PubChem (CID 156518677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).