3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine

C18H36F3N3 — CID 159521327

IUPAC3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(F)C1.CC(C)N1CC(F)C1.CC(C)N1CCC1
InChIInChI=1S/C6H11F2N.C6H12FN.C6H13N/c1-5(2)9-3-6(7,8)4-9;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyMBVLEGOEKSXTID-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.49
Rot. Bonds3

About 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine

3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine (PubChem CID 159521327) has the molecular formula C18H36F3N3 and a molecular weight of 351.50 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine
PubChem CID159521327
Molecular FormulaC18H36F3N3
Molecular Weight351.50 g/mol
Exact Mass351.29
IUPAC Name3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine
SMILESCC(C)N1CC(F)(F)C1.CC(C)N1CC(F)C1.CC(C)N1CCC1
InChIInChI=1S/C6H11F2N.C6H12FN.C6H13N/c1-5(2)9-3-6(7,8)4-9;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyMBVLEGOEKSXTID-UHFFFAOYSA-N
XLogP3.49
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
3-fluoro-3-methyl-1-propan-2-ylazetidine;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 159989792
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
ethane;1-propan-2-ylpyrrolidine
CID 167557798
1-fluoro-4-propan-2-yl-1,4-diazepane
CID 155701545
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
ethane;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 177140338
fluoroform;1-propan-2-ylpyrrolidine
CID 169177583
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
1-propan-2-ylpiperidine;hydrobromide
CID 44887258
3-(difluoromethyl)-1-propan-2-ylazetidine;3,3-difluoro-1-propan-2-ylazetidine;3,3-dimethyl-1-propan-2-ylazetidine;(2S)-2-ethyl-1-propan-2-ylazetidine;(2R)-2-ethyl-1-propan-2-ylazetidine;3-ethyl-1-propan-2-ylazetidine;(2S)-2-(1-fluoroethyl)-1-propan-2-ylazetidine;(2R)-2-(1-fluoroethyl)-1-propan-2-ylazetidine;(2S)-2-(fluoromethyl)-1-propan-2-ylazetidine;(2R)-2-(fluoromethyl)-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;tris((2R)-2-methyl-1-propan-2-ylazetidine);tris((2S)-2-methyl-1-propan-2-ylazetidine);bis(3-methyl-1-propan-2-ylazetidine);(2R)-2-methyl-1-propan-2-ylpyrrolidine;(3S)-3-methyl-1-propan-2-ylpyrrolidine;(3R)-3-methyl-1-propan-2-ylpyrrolidine;1-propan-2-ylazetidine;1-propan-2-ylpyrrolidine
CID 161351235
1-(3-fluoroazetidin-1-yl)ethanethiol
CID 130205321

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine?
The IUPAC name of 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine (CID 159521327) is 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine?
The canonical SMILES for 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine is CC(C)N1CC(F)(F)C1.CC(C)N1CC(F)C1.CC(C)N1CCC1.
What is the InChIKey of 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine?
The InChIKey is MBVLEGOEKSXTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N.C6H12FN.C6H13N/c1-5(2)9-3-6(7,8)4-9;1-5(2)8-3-6(7)4-8;1-6(2)7-4-3-5-7/h5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine?
3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine has a molecular weight of 351.50 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine is sourced from PubChem (CID 159521327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).