(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

C11H17F3N2O2 — CID 114271820

IUPAC(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-4-16(7-8)9(17)10(15)2-5-18-6-3-10/h8H,1-7,15H2
InChIKeySYCOADKEQFEKTK-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.91
Rot. Bonds1

About (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone

(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 114271820) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID114271820
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESNC1(C(=O)N2CCC(C(F)(F)F)C2)CCOCC1
InChIInChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-4-16(7-8)9(17)10(15)2-5-18-6-3-10/h8H,1-7,15H2
InChIKeySYCOADKEQFEKTK-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 114271820) is (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is NC1(C(=O)N2CCC(C(F)(F)F)C2)CCOCC1.
What is the InChIKey of (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SYCOADKEQFEKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c12-11(13,14)8-1-4-16(7-8)9(17)10(15)2-5-18-6-3-10/h8H,1-7,15H2.
What are the key properties of (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 266.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114271820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).