ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine

C9H18FNO — CID 163257599

IUPACethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
SMILESCC.CC1(F)CN(C2COC2)C1
InChIInChI=1S/C7H12FNO.C2H6/c1-7(8)4-9(5-7)6-2-10-3-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyPOZDFCUKUUEKHR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds1

About ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine

ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine (PubChem CID 163257599) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine.

Molecular Properties

Compound Nameethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
PubChem CID163257599
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Nameethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine
SMILESCC.CC1(F)CN(C2COC2)C1
InChIInChI=1S/C7H12FNO.C2H6/c1-7(8)4-9(5-7)6-2-10-3-6;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyPOZDFCUKUUEKHR-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine?
The IUPAC name of ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine (CID 163257599) is ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine.
What is the SMILES notation for ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine?
The canonical SMILES for ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine is CC.CC1(F)CN(C2COC2)C1.
What is the InChIKey of ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine?
The InChIKey is POZDFCUKUUEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO.C2H6/c1-7(8)4-9(5-7)6-2-10-3-6;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine?
ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-methyl-1-(oxetan-3-yl)azetidine is sourced from PubChem (CID 163257599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).