2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

C12H15F3N2 — CID 115502366

IUPAC2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)C1CNc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2/c1-7(2)11-6-16-10-5-8(12(13,14)15)3-4-9(10)17-11/h3-5,7,11,16-17H,6H2,1-2H3
InChIKeyFRTPULQLHKGDHE-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.57
Rot. Bonds1

About 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline

2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 115502366) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID115502366
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)C1CNc2cc(C(F)(F)F)ccc2N1
InChIInChI=1S/C12H15F3N2/c1-7(2)11-6-16-10-5-8(12(13,14)15)3-4-9(10)17-11/h3-5,7,11,16-17H,6H2,1-2H3
InChIKeyFRTPULQLHKGDHE-UHFFFAOYSA-N
XLogP3.57
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-8-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218460
2-(methoxymethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 113324376
4-methyl-2-propan-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-quinoxaline
CID 84637015
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
2-(2-methylsulfanylethyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 115502367
6,7-dimethoxy-2-propan-2-yl-1,2,3,4-tetrahydroquinoxaline
CID 83008630
3-butan-2-yl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986061
3-(2-methylpropyl)-8-(trifluoromethyl)-1,2,3,4-tetrahydro-1,4-benzodiazepin-5-one
CID 83218544
3-tert-butyl-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986085
N-methyl-1-[5-(trifluoromethyl)-2,3-dihydro-1H-indol-3-yl]propan-2-amine
CID 117201677
3-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine
CID 105356315
3-(2-methylpentyl)-5-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 106986184

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline (CID 115502366) is 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is CC(C)C1CNc2cc(C(F)(F)F)ccc2N1.
What is the InChIKey of 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is FRTPULQLHKGDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7(2)11-6-16-10-5-8(12(13,14)15)3-4-9(10)17-11/h3-5,7,11,16-17H,6H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline?
2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 244.26 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 115502366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).