(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine

C5H8F3NO — CID 178126696

IUPAC(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
SMILESC[C@@H]1NC[C@@H]1OC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3-4(2-9-3)10-5(6,7)8/h3-4,9H,2H2,1H3/t3-,4-/m0/s1
InChIKeyPIMJEZMQTHGFPD-IMJSIDKUSA-N
MW155.12 g/mol
LogP0.88
Rot. Bonds1

About (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine

(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine (PubChem CID 178126696) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine.

Molecular Properties

Compound Name(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
PubChem CID178126696
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine
SMILESC[C@@H]1NC[C@@H]1OC(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-3-4(2-9-3)10-5(6,7)8/h3-4,9H,2H2,1H3/t3-,4-/m0/s1
InChIKeyPIMJEZMQTHGFPD-IMJSIDKUSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-(trifluoromethoxy)pyrrolidine
CID 68562745
4-methyl-1,2-bis(trifluoromethoxy)cyclohexane
CID 20643370
(2R,3R)-3-fluoro-2-methylazetidine
CID 135396219
(2R,4S)-2-methyl-4-(trifluoromethoxy)piperidine
CID 177313582
1-[3,6-dimethyl-5-(trifluoromethoxy)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 176833571
(3R)-2,3-dimethylazetidine
CID 154523082
2-tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
(2R,3S)-2-methyl-3-[3-(trifluoromethyl)phenoxy]azetidine;oxalic acid
CID 67885896
2,2-dimethyl-1-[3-methyl-5-(trifluoromethoxy)piperidin-2-yl]propan-1-one
CID 176834152
[4-(trifluoromethoxy)pyrrolidin-3-yl]carbamic acid
CID 137480571
1-methyl-2-(trifluoromethoxy)imidazolidine
CID 123380195
2-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347109

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine?
The IUPAC name of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine (CID 178126696) is (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine.
What is the SMILES notation for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine?
The canonical SMILES for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine is C[C@@H]1NC[C@@H]1OC(F)(F)F.
What is the InChIKey of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine?
The InChIKey is PIMJEZMQTHGFPD-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-3-4(2-9-3)10-5(6,7)8/h3-4,9H,2H2,1H3/t3-,4-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine?
(2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine has a molecular weight of 155.12 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-3-(trifluoromethoxy)azetidine is sourced from PubChem (CID 178126696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).