2-(3,3-difluorobutoxymethyl)azetidine

C8H15F2NO — CID 84656869

IUPAC2-(3,3-difluorobutoxymethyl)azetidine
SMILESCC(F)(F)CCOCC1CCN1
InChIInChI=1S/C8H15F2NO/c1-8(9,10)3-5-12-6-7-2-4-11-7/h7,11H,2-6H2,1H3
InChIKeyTTZXNADQNZNWQY-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.41
Rot. Bonds5

About 2-(3,3-difluorobutoxymethyl)azetidine

2-(3,3-difluorobutoxymethyl)azetidine (PubChem CID 84656869) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(3,3-difluorobutoxymethyl)azetidine.

Molecular Properties

Compound Name2-(3,3-difluorobutoxymethyl)azetidine
PubChem CID84656869
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(3,3-difluorobutoxymethyl)azetidine
SMILESCC(F)(F)CCOCC1CCN1
InChIInChI=1S/C8H15F2NO/c1-8(9,10)3-5-12-6-7-2-4-11-7/h7,11H,2-6H2,1H3
InChIKeyTTZXNADQNZNWQY-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099
2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 115514545
(2R)-2-(4,4,4-trifluorobutoxymethyl)pyrrolidine
CID 102820223
2-(methoxymethyl)azetidine
CID 58227482
1-butoxy-3,3-difluorobutane
CID 175614029
1-[2-(2,2-difluoropropoxy)ethoxy]-3,3-difluorobutane
CID 175614014
3,3-difluoro-1-propoxybutane
CID 118261285
2-(2,2,2-trifluoroethoxymethyl)piperidine
CID 24702991
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(2-propoxyethoxymethyl)piperidine
CID 63684377
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
[(2S)-azetidin-2-yl]methyl N-tert-butylcarbamate
CID 175554542

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorobutoxymethyl)azetidine?
The IUPAC name of 2-(3,3-difluorobutoxymethyl)azetidine (CID 84656869) is 2-(3,3-difluorobutoxymethyl)azetidine.
What is the SMILES notation for 2-(3,3-difluorobutoxymethyl)azetidine?
The canonical SMILES for 2-(3,3-difluorobutoxymethyl)azetidine is CC(F)(F)CCOCC1CCN1.
What is the InChIKey of 2-(3,3-difluorobutoxymethyl)azetidine?
The InChIKey is TTZXNADQNZNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-8(9,10)3-5-12-6-7-2-4-11-7/h7,11H,2-6H2,1H3.
What are the key properties of 2-(3,3-difluorobutoxymethyl)azetidine?
2-(3,3-difluorobutoxymethyl)azetidine has a molecular weight of 179.21 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorobutoxymethyl)azetidine is sourced from PubChem (CID 84656869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).