4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one

C12H18F3NO2 — CID 137499384

IUPAC4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(C2CCOCC2)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)4-1-11(17)16-7-10(8-16)9-2-5-18-6-3-9/h9-10H,1-8H2
InChIKeyFGOSYSGXMRRKKN-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.21
Rot. Bonds3

About 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one (PubChem CID 137499384) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one
PubChem CID137499384
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CC(C2CCOCC2)C1
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)4-1-11(17)16-7-10(8-16)9-2-5-18-6-3-9/h9-10H,1-8H2
InChIKeyFGOSYSGXMRRKKN-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one (CID 137499384) is 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CC(C2CCOCC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one?
The InChIKey is FGOSYSGXMRRKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)4-1-11(17)16-7-10(8-16)9-2-5-18-6-3-9/h9-10H,1-8H2.
What are the key properties of 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one has a molecular weight of 265.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[3-(oxan-4-yl)azetidin-1-yl]butan-1-one is sourced from PubChem (CID 137499384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).