3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine

C11H22FNO — CID 142616577

IUPAC3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(COCCCF)C1
InChIInChI=1S/C11H22FNO/c1-10(2)6-13-7-11(8-13)9-14-5-3-4-12/h10-11H,3-9H2,1-2H3
InChIKeyLSUGQAJVFGKZIP-UHFFFAOYSA-N
MW203.30 g/mol
LogP1.95
Rot. Bonds7

About 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine

3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine (PubChem CID 142616577) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
PubChem CID142616577
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
SMILESCC(C)CN1CC(COCCCF)C1
InChIInChI=1S/C11H22FNO/c1-10(2)6-13-7-11(8-13)9-14-5-3-4-12/h10-11H,3-9H2,1-2H3
InChIKeyLSUGQAJVFGKZIP-UHFFFAOYSA-N
XLogP1.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine with MolForge

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

Launch Full Analysis

Related Compounds

3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
CID 121357704
N-[(3-fluorooxetan-3-yl)methyl]-N-methylethanamine
CID 121359017
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
3-Fluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262373
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3-Fluoro-1-(3-methoxypropyl)azetidine
CID 130270363
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419190
3,3-Difluoro-1-[3-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 138607645
3-Fluoro-1-propan-2-yl-3-(propan-2-yloxymethyl)azetidine
CID 140959055

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine?
The IUPAC name of 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine (CID 142616577) is 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine?
The canonical SMILES for 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine is CC(C)CN1CC(COCCCF)C1.
What is the InChIKey of 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine?
The InChIKey is LSUGQAJVFGKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2)6-13-7-11(8-13)9-14-5-3-4-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine?
3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine has a molecular weight of 203.30 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxymethyl)-1-(2-methylpropyl)azetidine is sourced from PubChem (CID 142616577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).