1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine

C8H14F3NO — CID 164726540

IUPAC1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
SMILESCC(C)N1CCC1COC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)12-4-3-7(12)5-13-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyGTKCJEUSNHZZOY-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.01
Rot. Bonds3

About 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine

1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine (PubChem CID 164726540) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine.

Molecular Properties

Compound Name1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
PubChem CID164726540
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine
SMILESCC(C)N1CCC1COC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6(2)12-4-3-7(12)5-13-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyGTKCJEUSNHZZOY-UHFFFAOYSA-N
XLogP2.01
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-methylbutan-1-amine
CID 117937197
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine
CID 130242757
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine
CID 130409561
1-(2-Fluoroethyl)-2-(methoxymethyl)azetidine
CID 130987507
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419189
3-(Difluoromethoxy)-1-propan-2-ylazetidine
CID 146385462
N-(3,3-difluoropropyl)-N-methyloxetan-3-amine
CID 146481324
1-Propan-2-yl-3-(2,2,2-trifluoroethoxy)azetidine
CID 156546513

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The IUPAC name of 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine (CID 164726540) is 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine.
What is the SMILES notation for 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The canonical SMILES for 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine is CC(C)N1CCC1COC(F)(F)F.
What is the InChIKey of 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
The InChIKey is GTKCJEUSNHZZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(2)12-4-3-7(12)5-13-8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine?
1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine has a molecular weight of 197.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-(trifluoromethoxymethyl)azetidine is sourced from PubChem (CID 164726540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).