2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine

C11H10F3N3 — CID 113433192

IUPAC2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cccc2nccnc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-15-6-8-2-1-3-9-10(8)17-5-4-16-9/h1-5,15H,6-7H2
InChIKeyKTCKVHPZNKEBLH-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.28
Rot. Bonds3

About 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine

2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine (PubChem CID 113433192) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
PubChem CID113433192
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1cccc2nccnc12
InChIInChI=1S/C11H10F3N3/c12-11(13,14)7-15-6-8-2-1-3-9-10(8)17-5-4-16-9/h1-5,15H,6-7H2
InChIKeyKTCKVHPZNKEBLH-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
N-(quinoxalin-5-ylmethyl)cyclopentanamine
CID 104614218
3-pyrrolidin-1-yl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614273
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
2-(quinoxalin-5-ylmethylamino)propan-1-ol
CID 104614241
N,N-dimethyl-3-quinoxalin-5-ylpropan-1-amine
CID 170865869
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
CID 66510215
2,2,2-trifluoro-N-(pyridin-4-ylmethyl)ethanamine
CID 24704089

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine (CID 113433192) is 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine is FC(F)(F)CNCc1cccc2nccnc12.
What is the InChIKey of 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine?
The InChIKey is KTCKVHPZNKEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c12-11(13,14)7-15-6-8-2-1-3-9-10(8)17-5-4-16-9/h1-5,15H,6-7H2.
What are the key properties of 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine has a molecular weight of 241.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine is sourced from PubChem (CID 113433192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).