3-(difluoromethoxymethyl)-1-propan-2-ylazetidine

C8H15F2NO — CID 165149979

IUPAC3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(COC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-11)5-12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyLOZYIAYOAHMOKP-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.57
Rot. Bonds4

About 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine

3-(difluoromethoxymethyl)-1-propan-2-ylazetidine (PubChem CID 165149979) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
PubChem CID165149979
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(COC(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-11)5-12-8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyLOZYIAYOAHMOKP-UHFFFAOYSA-N
XLogP1.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethoxymethyl)-1-propan-2-ylazetidine
CID 89024945
(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611153
3-(fluoromethyl)-1-propan-2-ylazetidine
CID 118375071
(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740
3,3-difluoro-1-[1-[(1-propan-2-ylazetidin-3-yl)methoxy]propan-2-yl]azetidine
CID 155460827
(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine
CID 147558293
2-chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
CID 155039113
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
ethane;(1-propan-2-ylazetidin-3-yl)methanol
CID 156813140
2-fluoro-2-(1-propan-2-ylazetidin-3-yl)ethanol
CID 105431672
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
3-methyl-1-propan-2-yl-4-(propan-2-yloxymethyl)pyrrolidine
CID 89385855

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine?
The IUPAC name of 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine (CID 165149979) is 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine is CC(C)N1CC(COC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine?
The InChIKey is LOZYIAYOAHMOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-3-7(4-11)5-12-8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine?
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine has a molecular weight of 179.21 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-1-propan-2-ylazetidine is sourced from PubChem (CID 165149979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).