7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]

C12H12F3N — CID 106701762

IUPAC7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
SMILESFC(F)(F)c1cccc2c1NCC21CCC1
InChIInChI=1S/C12H12F3N/c13-12(14,15)9-4-1-3-8-10(9)16-7-11(8)5-2-6-11/h1,3-4,16H,2,5-7H2
InChIKeyIHYFUEZZEVXGMO-UHFFFAOYSA-N
MW227.23 g/mol
LogP3.55
Rot. Bonds

About 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]

7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane] (PubChem CID 106701762) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane].

Molecular Properties

Compound Name7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
PubChem CID106701762
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
SMILESFC(F)(F)c1cccc2c1NCC21CCC1
InChIInChI=1S/C12H12F3N/c13-12(14,15)9-4-1-3-8-10(9)16-7-11(8)5-2-6-11/h1,3-4,16H,2,5-7H2
InChIKeyIHYFUEZZEVXGMO-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
CID 106701715
3,3-diethyl-7-(trifluoromethyl)-1,2-dihydroindole
CID 106701959
5-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclobutane] 1,1-dioxide
CID 115097323
6-(trifluoromethyl)spiro[4,5-dihydro-2H-1,5-benzothiazepine-3,1'-cyclopentane]
CID 115099544
3-(5-chloro-2-hydroxyphenyl)-7-(trifluoromethyl)-1,2-dihydroindol-3-ol
CID 140974863
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
1-[2-(trifluoromethyl)phenyl]cyclobutane-1-carbaldehyde
CID 59680954
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
2,4,4-trimethyl-8-(trifluoromethyl)-2,3-dihydro-1H-quinoline
CID 117272157
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
7'-(trifluoromethyl)spiro[1,3-dithiolane-2,3'-1H-indole]-2'-one
CID 2221771
spiro[1,2-dihydroindole-3,4'-piperidine]-7-carbonitrile
CID 153496993

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]?
The IUPAC name of 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane] (CID 106701762) is 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane].
What is the SMILES notation for 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]?
The canonical SMILES for 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane] is FC(F)(F)c1cccc2c1NCC21CCC1.
What is the InChIKey of 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]?
The InChIKey is IHYFUEZZEVXGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N/c13-12(14,15)9-4-1-3-8-10(9)16-7-11(8)5-2-6-11/h1,3-4,16H,2,5-7H2.
What are the key properties of 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]?
7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane] has a molecular weight of 227.23 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane] is sourced from PubChem (CID 106701762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).