3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane

C13H25F3N2O — CID 162174730

IUPAC3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane
SMILESCC1(F)CNC1.CC1(F)COC1.CN1CC(C)(F)C1
InChIInChI=1S/C5H10FN.C4H8FN.C4H7FO/c1-5(6)3-7(2)4-5;2*1-4(5)2-6-3-4/h3-4H2,1-2H3;6H,2-3H2,1H3;2-3H2,1H3
InChIKeyZOFWECNCICYBBQ-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.72
Rot. Bonds

About 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane

3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane (PubChem CID 162174730) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane.

Molecular Properties

Compound Name3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane
PubChem CID162174730
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane
SMILESCC1(F)CNC1.CC1(F)COC1.CN1CC(C)(F)C1
InChIInChI=1S/C5H10FN.C4H8FN.C4H7FO/c1-5(6)3-7(2)4-5;2*1-4(5)2-6-3-4/h3-4H2,1-2H3;6H,2-3H2,1H3;2-3H2,1H3
InChIKeyZOFWECNCICYBBQ-UHFFFAOYSA-N
XLogP1.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-1,3-dimethylazetidine
CID 89296536
3a-fluoro-5,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole
CID 176992944
3a,5,6a-trimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole;dihydrochloride
CID 126796964
ethane;(1S,5R)-1,3,5-trimethyl-3-azabicyclo[3.1.0]hexane
CID 168910371
ethane;1,2,2,6,6-pentamethylpiperazine
CID 168918008
5-methyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a,6a-diamine
CID 138614511
3,3-difluoro-1-methylazetidine;ethane;methane
CID 153377550
CID 58944995
CID 58944995
ethane;7-methyl-2-oxa-7-azaspiro[3.4]octane
CID 145338832
5,5-difluoro-2-methyl-2,7-diazaspiro[3.5]nonane;dihydrochloride
CID 155895873
2-methylpropane;2-oxa-6-azaspiro[3.3]heptane
CID 169145007
ethane;1,3,5-trimethyl-3-azabicyclo[3.1.1]heptane
CID 177137532

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane?
The IUPAC name of 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane (CID 162174730) is 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane.
What is the SMILES notation for 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane?
The canonical SMILES for 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane is CC1(F)CNC1.CC1(F)COC1.CN1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane?
The InChIKey is ZOFWECNCICYBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN.C4H8FN.C4H7FO/c1-5(6)3-7(2)4-5;2*1-4(5)2-6-3-4/h3-4H2,1-2H3;6H,2-3H2,1H3;2-3H2,1H3.
What are the key properties of 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane?
3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane has a molecular weight of 282.35 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,3-dimethylazetidine;3-fluoro-3-methylazetidine;3-fluoro-3-methyloxetane is sourced from PubChem (CID 162174730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).