3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine

C14H18F3NO2 — CID 95727768

IUPAC3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine
SMILESCOc1cccc(OC2CN(C[C@H](C)C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-13(9-18)20-12-5-3-4-11(6-12)19-2/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyNDVUVSIHBWHASE-JTQLQIEISA-N
MW289.30 g/mol
LogP2.96
Rot. Bonds5

About 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine

3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine (PubChem CID 95727768) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine.

Molecular Properties

Compound Name3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine
PubChem CID95727768
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine
SMILESCOc1cccc(OC2CN(C[C@H](C)C(F)(F)F)C2)c1
InChIInChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-13(9-18)20-12-5-3-4-11(6-12)19-2/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyNDVUVSIHBWHASE-JTQLQIEISA-N
XLogP2.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenoxy)-1-[(2R)-3,3,3-trifluoro-2-methylpropyl]azetidine
CID 95708368
1-[(3-chloro-5-fluoro-4-methoxyphenyl)methyl]-3-(3-methoxyphenoxy)azetidine
CID 56913519
3-(3-methoxyphenoxy)-1-[(5-propylfuran-2-yl)methyl]azetidine
CID 77092593
2-(benzotriazol-2-yl)-1-[3-(3-methoxyphenoxy)azetidin-1-yl]ethanone
CID 70750140
3-[3-(trifluoromethoxy)phenoxy]-1-[(2S)-3,3,3-trifluoro-2-[(2S)-1,1,1-trifluoro-3-[3-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-2-yl]oxypropyl]piperidine
CID 142768056
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methoxyphenoxy)azetidine
CID 124755241
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-[3-(3-methoxyphenoxy)azetidin-1-yl]propan-1-one
CID 91832930
formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
CID 154915892
3-(3-methoxyphenoxy)cyclobutan-1-amine
CID 66356689
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169
[3-(3-methoxyphenoxy)azetidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72893956
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The IUPAC name of 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine (CID 95727768) is 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine.
What is the SMILES notation for 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The canonical SMILES for 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine is COc1cccc(OC2CN(C[C@H](C)C(F)(F)F)C2)c1.
What is the InChIKey of 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine?
The InChIKey is NDVUVSIHBWHASE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10(14(15,16)17)7-18-8-13(9-18)20-12-5-3-4-11(6-12)19-2/h3-6,10,13H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine?
3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine has a molecular weight of 289.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenoxy)-1-[(2S)-3,3,3-trifluoro-2-methylpropyl]azetidine is sourced from PubChem (CID 95727768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).