3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine

C9H17F2NO — CID 130262376

IUPAC3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine
SMILESCC(C)OCCCN1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-5-3-4-12-6-9(10,11)7-12/h8H,3-7H2,1-2H3
InChIKeySOSTXTJGNDQEAV-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds5

About 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine

3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine (PubChem CID 130262376) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine
PubChem CID130262376
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine
SMILESCC(C)OCCCN1CC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c1-8(2)13-5-3-4-12-6-9(10,11)7-12/h8H,3-7H2,1-2H3
InChIKeySOSTXTJGNDQEAV-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
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-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 57680080
1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
N-(2,2-difluoroethyl)-3-methoxy-N-methylbutan-1-amine
CID 90245806
1-(3-Ethoxypropyl)-3-fluoroazetidine
CID 118973290
3-Fluoro-1-(3-propan-2-yloxypropyl)azetidine
CID 130262373
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
3-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419190
3-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
CID 137449313
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine (CID 130262376) is 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine is CC(C)OCCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine?
The InChIKey is SOSTXTJGNDQEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2)13-5-3-4-12-6-9(10,11)7-12/h8H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine?
3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-propan-2-yloxypropyl)azetidine is sourced from PubChem (CID 130262376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).