2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine

C12H11F4N3 — CID 106290130

IUPAC2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCc1cnc2ccccc2n1
InChIInChI=1S/C12H11F4N3/c13-11(14)12(15,16)7-17-5-8-6-18-9-3-1-2-4-10(9)19-8/h1-4,6,11,17H,5,7H2
InChIKeyGRHQQUHOSLSFKK-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.62
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine (PubChem CID 106290130) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine
PubChem CID106290130
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCc1cnc2ccccc2n1
InChIInChI=1S/C12H11F4N3/c13-11(14)12(15,16)7-17-5-8-6-18-9-3-1-2-4-10(9)19-8/h1-4,6,11,17H,5,7H2
InChIKeyGRHQQUHOSLSFKK-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine (CID 106290130) is 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCc1cnc2ccccc2n1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine?
The InChIKey is GRHQQUHOSLSFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-11(14)12(15,16)7-17-5-8-6-18-9-3-1-2-4-10(9)19-8/h1-4,6,11,17H,5,7H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine has a molecular weight of 273.23 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(quinoxalin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106290130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).