6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]

C13H14F3N — CID 76848698

IUPAC6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
SMILESFC(F)(F)c1ccc2c(c1)C1(CCC1)CNC2
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-3-2-9-7-17-8-12(4-1-5-12)11(9)6-10/h2-3,6,17H,1,4-5,7-8H2
InChIKeyGLZVTUUKLVWWMW-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.23
Rot. Bonds

About 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]

6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] (PubChem CID 76848698) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane].

Molecular Properties

Compound Name6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
PubChem CID76848698
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
SMILESFC(F)(F)c1ccc2c(c1)C1(CCC1)CNC2
InChIInChI=1S/C13H14F3N/c14-13(15,16)10-3-2-9-7-17-8-12(4-1-5-12)11(9)6-10/h2-3,6,17H,1,4-5,7-8H2
InChIKeyGLZVTUUKLVWWMW-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-dimethyl-6-(trifluoromethyl)-2,3-dihydro-1H-isoquinoline;hydrochloride
CID 71303219
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607944
4,7-bis(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115063800
[2-(1-methylcyclopropyl)-5-(trifluoromethyl)phenyl]oxidanium
CID 177136482
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]
CID 115097511
4-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-4-ol
CID 117104002
2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]
CID 84709451
7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
CID 106701762

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]?
The IUPAC name of 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] (CID 76848698) is 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane].
What is the SMILES notation for 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]?
The canonical SMILES for 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] is FC(F)(F)c1ccc2c(c1)C1(CCC1)CNC2.
What is the InChIKey of 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]?
The InChIKey is GLZVTUUKLVWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)10-3-2-9-7-17-8-12(4-1-5-12)11(9)6-10/h2-3,6,17H,1,4-5,7-8H2.
What are the key properties of 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]?
6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] has a molecular weight of 241.26 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane] is sourced from PubChem (CID 76848698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).