1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine

C9H18FN — CID 134505357

IUPAC1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine
SMILESCCN1CC(F)(CC(C)C)C1
InChIInChI=1S/C9H18FN/c1-4-11-6-9(10,7-11)5-8(2)3/h8H,4-7H2,1-3H3
InChIKeyWGGHUTVOTCXSRB-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.08
Rot. Bonds3

About 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine

1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine (PubChem CID 134505357) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine
PubChem CID134505357
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine
SMILESCCN1CC(F)(CC(C)C)C1
InChIInChI=1S/C9H18FN/c1-4-11-6-9(10,7-11)5-8(2)3/h8H,4-7H2,1-3H3
InChIKeyWGGHUTVOTCXSRB-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine?
The IUPAC name of 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine (CID 134505357) is 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine.
What is the SMILES notation for 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine?
The canonical SMILES for 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine is CCN1CC(F)(CC(C)C)C1.
What is the InChIKey of 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine?
The InChIKey is WGGHUTVOTCXSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-11-6-9(10,7-11)5-8(2)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine?
1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine has a molecular weight of 159.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-3-(2-methylpropyl)azetidine is sourced from PubChem (CID 134505357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).