3-fluoro-1-(3-propan-2-yloxypropyl)azetidine

C9H18FNO — CID 130262373

IUPAC3-fluoro-1-(3-propan-2-yloxypropyl)azetidine
SMILESCC(C)OCCCN1CC(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-5-3-4-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyOAAMMDUQXDQPPQ-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.46
Rot. Bonds5

About 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine

3-fluoro-1-(3-propan-2-yloxypropyl)azetidine (PubChem CID 130262373) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine.

Molecular Properties

Compound Name3-fluoro-1-(3-propan-2-yloxypropyl)azetidine
PubChem CID130262373
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-fluoro-1-(3-propan-2-yloxypropyl)azetidine
SMILESCC(C)OCCCN1CC(F)C1
InChIInChI=1S/C9H18FNO/c1-8(2)12-5-3-4-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3
InChIKeyOAAMMDUQXDQPPQ-UHFFFAOYSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-fluoroethyl)-N-methylpropan-1-amine
CID 90453703
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
3-(Fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 123717229
3,3-Difluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262376
3-Fluoro-1-(3-methoxypropyl)azetidine
CID 130270363
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
3-(3-Fluoropropoxymethyl)-1-(2-methylpropyl)azetidine
CID 142616577
3-Fluoro-3-(fluoromethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 146595815
3-Fluoro-3-(methoxymethyl)-1-(2-propan-2-yloxyethyl)azetidine
CID 146595816
N-(3-fluoropropyl)-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 156376188
N-methyl-3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 156847023

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine?
The IUPAC name of 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine (CID 130262373) is 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine.
What is the SMILES notation for 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine?
The canonical SMILES for 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine is CC(C)OCCCN1CC(F)C1.
What is the InChIKey of 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine?
The InChIKey is OAAMMDUQXDQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(2)12-5-3-4-11-6-9(10)7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine?
3-fluoro-1-(3-propan-2-yloxypropyl)azetidine has a molecular weight of 175.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(3-propan-2-yloxypropyl)azetidine is sourced from PubChem (CID 130262373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).