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QRPUJOZUMVGQIM-UHFFFAOYSA-N

C11H11F3N2 — CID 142474662

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3cccc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C11H11F3N2/c12-11(13,14)8-3-1-2-7(16-8)9-4-10(15,5-9)6-9/h1-3H,4-6,15H2
InChIKeyQRPUJOZUMVGQIM-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.23
Rot. Bonds1

About QRPUJOZUMVGQIM-UHFFFAOYSA-N

QRPUJOZUMVGQIM-UHFFFAOYSA-N (PubChem CID 142474662) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine.

Molecular Properties

Compound NameQRPUJOZUMVGQIM-UHFFFAOYSA-N
PubChem CID142474662
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine
SMILESNC12CC(c3cccc(C(F)(F)F)n3)(C1)C2
InChIInChI=1S/C11H11F3N2/c12-11(13,14)8-3-1-2-7(16-8)9-4-10(15,5-9)6-9/h1-3H,4-6,15H2
InChIKeyQRPUJOZUMVGQIM-UHFFFAOYSA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of QRPUJOZUMVGQIM-UHFFFAOYSA-N?
The IUPAC name of QRPUJOZUMVGQIM-UHFFFAOYSA-N (CID 142474662) is 3-[6-(trifluoromethyl)-2-pyridinyl]bicyclo[1.1.1]pentan-1-amine.
What is the SMILES notation for QRPUJOZUMVGQIM-UHFFFAOYSA-N?
The canonical SMILES for QRPUJOZUMVGQIM-UHFFFAOYSA-N is NC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.
What is the InChIKey of QRPUJOZUMVGQIM-UHFFFAOYSA-N?
The InChIKey is QRPUJOZUMVGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c12-11(13,14)8-3-1-2-7(16-8)9-4-10(15,5-9)6-9/h1-3H,4-6,15H2.
What are the key properties of QRPUJOZUMVGQIM-UHFFFAOYSA-N?
QRPUJOZUMVGQIM-UHFFFAOYSA-N has a molecular weight of 228.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for QRPUJOZUMVGQIM-UHFFFAOYSA-N is sourced from PubChem (CID 142474662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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