3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine

C9H18FN — CID 129023583

IUPAC3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine
SMILESCCC1(C(C)C)CN(C)C1F
InChIInChI=1S/C9H18FN/c1-5-9(7(2)3)6-11(4)8(9)10/h7-8H,5-6H2,1-4H3
InChIKeyKRGCQCWXMPHOOD-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.28
Rot. Bonds2

About 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine

3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine (PubChem CID 129023583) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine
PubChem CID129023583
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine
SMILESCCC1(C(C)C)CN(C)C1F
InChIInChI=1S/C9H18FN/c1-5-9(7(2)3)6-11(4)8(9)10/h7-8H,5-6H2,1-4H3
InChIKeyKRGCQCWXMPHOOD-UHFFFAOYSA-N
XLogP2.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine 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 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine?
The IUPAC name of 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine (CID 129023583) is 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine.
What is the SMILES notation for 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine?
The canonical SMILES for 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine is CCC1(C(C)C)CN(C)C1F.
What is the InChIKey of 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine?
The InChIKey is KRGCQCWXMPHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-5-9(7(2)3)6-11(4)8(9)10/h7-8H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine?
3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine has a molecular weight of 159.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-fluoro-1-methyl-3-propan-2-ylazetidine is sourced from PubChem (CID 129023583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).