2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine

C9H16F3NO — CID 167031002

IUPAC2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)OCC1CCN1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)14-5-8-3-4-13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyFUZXADAXVRQLTJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds4

About 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine

2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine (PubChem CID 167031002) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
PubChem CID167031002
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine
SMILESCC(C)OCC1CCN1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)14-5-8-3-4-13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyFUZXADAXVRQLTJ-UHFFFAOYSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419189
3-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
CID 137449313
1-Propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137471188
1-Tert-butyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137536748
2-[[2,2-Difluoro-3-[3-(3-methoxycyclobutyl)oxypropoxy]propoxy]methyl]-1-propan-2-ylazetidine
CID 139571984
3-(Difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
CID 140959012
1-Ethyl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 145394987

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The IUPAC name of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine (CID 167031002) is 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine is CC(C)OCC1CCN1CC(F)(F)F.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
The InChIKey is FUZXADAXVRQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)14-5-8-3-4-13(8)6-9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine?
2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-1-(2,2,2-trifluoroethyl)azetidine is sourced from PubChem (CID 167031002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).