1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone

C11H16F3NO2 — CID 167250974

IUPAC1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC(OC2CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(16)15-6-9(7-15)17-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyVXGCNMJCWJPMLT-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone

1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone (PubChem CID 167250974) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone
PubChem CID167250974
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Name1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone
SMILESO=C(N1CC(OC2CCCCC2)C1)C(F)(F)F
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(16)15-6-9(7-15)17-8-4-2-1-3-5-8/h8-9H,1-7H2
InChIKeyVXGCNMJCWJPMLT-UHFFFAOYSA-N
XLogP2.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110666960
1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone
CID 126719279
(3-cyclohexyloxyazetidin-1-yl)-(3,4-dihydropyrazol-2-yl)methanone
CID 166892282
1-[3-(2-amino-5-chlorophenoxy)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 76779368
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108932472
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136
2,2,2-trifluoro-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 24744899
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide
CID 103637569

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone (CID 167250974) is 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone is O=C(N1CC(OC2CCCCC2)C1)C(F)(F)F.
What is the InChIKey of 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone?
The InChIKey is VXGCNMJCWJPMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)10(16)15-6-9(7-15)17-8-4-2-1-3-5-8/h8-9H,1-7H2.
What are the key properties of 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone?
1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone has a molecular weight of 251.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 167250974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).