3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine

C13H24F2N2O — CID 155460827

IUPAC3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
SMILESCC(C)N1CC(COCC(C)N2CC(F)(F)C2)C1
InChIInChI=1S/C13H24F2N2O/c1-10(2)16-4-12(5-16)7-18-6-11(3)17-8-13(14,15)9-17/h10-12H,4-9H2,1-3H3
InChIKeyOGIFQBPAUQDGMT-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.68
Rot. Bonds6

About 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine

3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine (PubChem CID 155460827) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
PubChem CID155460827
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
SMILESCC(C)N1CC(COCC(C)N2CC(F)(F)C2)C1
InChIInChI=1S/C13H24F2N2O/c1-10(2)16-4-12(5-16)7-18-6-11(3)17-8-13(14,15)9-17/h10-12H,4-9H2,1-3H3
InChIKeyOGIFQBPAUQDGMT-UHFFFAOYSA-N
XLogP1.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
3,3-difluoro-1-propan-2-ylazetidine;3-fluoro-1-propan-2-ylazetidine;1-propan-2-ylazetidine
CID 159521327
2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
CID 139341788
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
2-(5,5-difluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
CID 153412202
4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
CID 157032281
ethane;N-(3-fluorobutyl)-N-methyl-1-propan-2-ylazetidin-3-amine
CID 176703303
2-[2-[4-[2-[4-(methoxymethyl)piperidin-1-yl]propoxymethyl]piperidin-1-yl]propyl]-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 134555242

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine?
The IUPAC name of 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine (CID 155460827) is 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine is CC(C)N1CC(COCC(C)N2CC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine?
The InChIKey is OGIFQBPAUQDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-10(2)16-4-12(5-16)7-18-6-11(3)17-8-13(14,15)9-17/h10-12H,4-9H2,1-3H3.
What are the key properties of 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine?
3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine has a molecular weight of 262.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine is sourced from PubChem (CID 155460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).