7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]

C14H17F3N2 — CID 115502365

IUPAC7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESFC(F)(F)c1ccc2c(c1)NCC1(CCCCC1)N2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)10-4-5-11-12(8-10)18-9-13(19-11)6-2-1-3-7-13/h4-5,8,18-19H,1-3,6-7,9H2
InChIKeyALERMCLTFBQGFV-UHFFFAOYSA-N
MW270.30 g/mol
LogP4.25
Rot. Bonds

About 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]

7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (PubChem CID 115502365) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
PubChem CID115502365
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
SMILESFC(F)(F)c1ccc2c(c1)NCC1(CCCCC1)N2
InChIInChI=1S/C14H17F3N2/c15-14(16,17)10-4-5-11-12(8-10)18-9-13(19-11)6-2-1-3-7-13/h4-5,8,18-19H,1-3,6-7,9H2
InChIKeyALERMCLTFBQGFV-UHFFFAOYSA-N
XLogP4.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] with MolForge

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Related Compounds

7-(trifluoromethyl)spiro[3,5-dihydro-1H-1,5-benzodiazepine-2,1'-cyclohexane]-4-one
CID 115502337
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670
7-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclohexane] 1,1-dioxide
CID 115098146
7-(trifluoromethyl)spiro[4,5-dihydro-2H-1,5-benzoxazepine-3,1'-cyclohexane]
CID 115099804
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097115
piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
CID 146356886
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]
CID 115097511
3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
CID 22735233
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
CID 81166977
2,2-dimethyl-7-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502340
8-(trifluoromethyl)spiro[2,5-dihydro-1,5-benzothiazepine-3,1'-cyclohexane]-4-one
CID 115099873
4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097551

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The IUPAC name of 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] (CID 115502365) is 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is FC(F)(F)c1ccc2c(c1)NCC1(CCCCC1)N2.
What is the InChIKey of 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
The InChIKey is ALERMCLTFBQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)10-4-5-11-12(8-10)18-9-13(19-11)6-2-1-3-7-13/h4-5,8,18-19H,1-3,6-7,9H2.
What are the key properties of 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]?
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] has a molecular weight of 270.30 g/mol, XLogP of 4.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane] is sourced from PubChem (CID 115502365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).