4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]

C12H13F3N2 — CID 115096893

IUPAC4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
SMILESCN1c2c(cccc2C(F)(F)F)NCC12CC2
InChIInChI=1S/C12H13F3N2/c1-17-10-8(12(13,14)15)3-2-4-9(10)16-7-11(17)5-6-11/h2-4,16H,5-7H2,1H3
InChIKeyGDJUNOHIJDQWKB-UHFFFAOYSA-N
MW242.24 g/mol
LogP3.10
Rot. Bonds

About 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]

4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane] (PubChem CID 115096893) has the molecular formula C12H13F3N2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane].

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
PubChem CID115096893
Molecular FormulaC12H13F3N2
Molecular Weight242.24 g/mol
Exact Mass242.10
IUPAC Name4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
SMILESCN1c2c(cccc2C(F)(F)F)NCC12CC2
InChIInChI=1S/C12H13F3N2/c1-17-10-8(12(13,14)15)3-2-4-9(10)16-7-11(17)5-6-11/h2-4,16H,5-7H2,1H3
InChIKeyGDJUNOHIJDQWKB-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84637531
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097943
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097269
5-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098284
4-ethyl-2,2-dimethyl-5-(trifluoromethyl)-1,3-dihydroquinoxaline
CID 115095110
3,3-dimethyl-6-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115098409
2-methyl-1-[8-(trifluoromethyl)-3,4-dihydro-2H-quinoxalin-1-yl]propan-2-ol
CID 117235999
9-(trifluoromethyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline
CID 156703508
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
6-fluoro-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]
CID 115099075

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]?
The IUPAC name of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane] (CID 115096893) is 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane].
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane] is CN1c2c(cccc2C(F)(F)F)NCC12CC2.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]?
The InChIKey is GDJUNOHIJDQWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2/c1-17-10-8(12(13,14)15)3-2-4-9(10)16-7-11(17)5-6-11/h2-4,16H,5-7H2,1H3.
What are the key properties of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]?
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane] has a molecular weight of 242.24 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane] is sourced from PubChem (CID 115096893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).