(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid

C12H19F3N2O3 — CID 170910355

IUPAC(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid
SMILESNC1CN(C(=O)C2CCCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2;(H,6,7)
InChIKeyDYRDRMSZPIABFV-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.37
Rot. Bonds1

About (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid

(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 170910355) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid
PubChem CID170910355
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid
SMILESNC1CN(C(=O)C2CCCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N2O.C2HF3O2/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2;(H,6,7)
InChIKeyDYRDRMSZPIABFV-UHFFFAOYSA-N
XLogP1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid (CID 170910355) is (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid is NC1CN(C(=O)C2CCCCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is DYRDRMSZPIABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2HF3O2/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h8-9H,1-7,11H2;(H,6,7).
What are the key properties of (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid?
(3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-cyclohexylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 170910355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).