(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine

C10H8F3N3 — CID 66510215

IUPAC(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
SMILESN[C@@H](c1cccc2nccnc12)C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9(14)6-2-1-3-7-8(6)16-5-4-15-7/h1-5,9H,14H2/t9-/m0/s1
InChIKeyCYCCUTCLIAAUKW-VIFPVBQESA-N
MW227.19 g/mol
LogP2.19
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine

(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine (PubChem CID 66510215) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
PubChem CID66510215
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine
SMILESN[C@@H](c1cccc2nccnc12)C(F)(F)F
InChIInChI=1S/C10H8F3N3/c11-10(12,13)9(14)6-2-1-3-7-8(6)16-5-4-15-7/h1-5,9H,14H2/t9-/m0/s1
InChIKeyCYCCUTCLIAAUKW-VIFPVBQESA-N
XLogP2.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-quinoxalin-5-ylmethanamine
CID 105087841
(1S)-N-methyl-1-quinoxalin-5-ylethanamine
CID 131196182
2-(2-fluorophenyl)-1-quinoxalin-5-ylethanamine
CID 105090033
(1S)-1-(2-bromo-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290353
1-quinoxalin-5-ylpent-4-yn-1-amine
CID 105148979
(3-fluoro-4-methylphenyl)-quinoxalin-5-ylmethanamine
CID 107130474
(2-fluoro-3-methoxyphenyl)-quinoxalin-5-ylmethanamine
CID 105174708
[(2,6-difluorophenyl)-quinoxalin-5-ylmethyl]hydrazine
CID 105308105
1-quinoxalin-5-ylprop-2-yn-1-ol
CID 105106188
5-butan-2-ylquinoxaline
CID 123654553
2-(5-ethylthiophen-2-yl)-1-quinoxalin-5-ylethanamine
CID 105135907
(2-fluoro-4,6-dimethylphenyl)-quinoxalin-5-ylmethanamine
CID 106883959

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine (CID 66510215) is (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine is N[C@@H](c1cccc2nccnc12)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine?
The InChIKey is CYCCUTCLIAAUKW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H8F3N3/c11-10(12,13)9(14)6-2-1-3-7-8(6)16-5-4-15-7/h1-5,9H,14H2/t9-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine?
(1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine has a molecular weight of 227.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-quinoxalin-5-ylethanamine is sourced from PubChem (CID 66510215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).