oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

C11H16F3NO3 — CID 121018948

IUPACoxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9-5-15(6-9)10(16)8-1-3-17-4-2-8/h8-9H,1-7H2
InChIKeyYCPMEXMPUDWJBZ-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.20
Rot. Bonds3

About oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (PubChem CID 121018948) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
PubChem CID121018948
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Nameoxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9-5-15(6-9)10(16)8-1-3-17-4-2-8/h8-9H,1-7H2
InChIKeyYCPMEXMPUDWJBZ-UHFFFAOYSA-N
XLogP1.20
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (CID 121018948) is oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is O=C(C1CCOCC1)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The InChIKey is YCPMEXMPUDWJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)7-18-9-5-15(6-9)10(16)8-1-3-17-4-2-8/h8-9H,1-7H2.
What are the key properties of oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone has a molecular weight of 267.25 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 121018948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).