3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine

C10H18FNO — CID 130735353

IUPAC3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine
SMILESCC(C1CCOCC1)N1CC(F)C1
InChIInChI=1S/C10H18FNO/c1-8(12-6-10(11)7-12)9-2-4-13-5-3-9/h8-10H,2-7H2,1H3
InChIKeyRLFWFWBYHBWPCD-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds2

About 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine

3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine (PubChem CID 130735353) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine.

Molecular Properties

Compound Name3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine
PubChem CID130735353
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine
SMILESCC(C1CCOCC1)N1CC(F)C1
InChIInChI=1S/C10H18FNO/c1-8(12-6-10(11)7-12)9-2-4-13-5-3-9/h8-10H,2-7H2,1H3
InChIKeyRLFWFWBYHBWPCD-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-[1-(oxan-4-yl)ethyl]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 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine?
The IUPAC name of 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine (CID 130735353) is 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine.
What is the SMILES notation for 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine?
The canonical SMILES for 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine is CC(C1CCOCC1)N1CC(F)C1.
What is the InChIKey of 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine?
The InChIKey is RLFWFWBYHBWPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-8(12-6-10(11)7-12)9-2-4-13-5-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine?
3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine has a molecular weight of 187.26 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[1-(oxan-4-yl)ethyl]azetidine is sourced from PubChem (CID 130735353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).