4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

C15H19F3N2 — CID 115097551

IUPAC4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCC(C)N1c2cc(C(F)(F)F)ccc2NCC12CCC2
InChIInChI=1S/C15H19F3N2/c1-10(2)20-13-8-11(15(16,17)18)4-5-12(13)19-9-14(20)6-3-7-14/h4-5,8,10,19H,3,6-7,9H2,1-2H3
InChIKeyHXFDXJBBSGBRGP-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.27
Rot. Bonds1

About 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (PubChem CID 115097551) has the molecular formula C15H19F3N2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].

Molecular Properties

Compound Name4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
PubChem CID115097551
Molecular FormulaC15H19F3N2
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCC(C)N1c2cc(C(F)(F)F)ccc2NCC12CCC2
InChIInChI=1S/C15H19F3N2/c1-10(2)20-13-8-11(15(16,17)18)4-5-12(13)19-9-14(20)6-3-7-14/h4-5,8,10,19H,3,6-7,9H2,1-2H3
InChIKeyHXFDXJBBSGBRGP-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
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
5-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097649
7-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclohexane] 1,1-dioxide
CID 115098146
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
2-methyl-2-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-1,4-benzoxazine
CID 114494616
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097115
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670
4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097432

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The IUPAC name of 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (CID 115097551) is 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].
What is the SMILES notation for 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The canonical SMILES for 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is CC(C)N1c2cc(C(F)(F)F)ccc2NCC12CCC2.
What is the InChIKey of 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The InChIKey is HXFDXJBBSGBRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-10(2)20-13-8-11(15(16,17)18)4-5-12(13)19-9-14(20)6-3-7-14/h4-5,8,10,19H,3,6-7,9H2,1-2H3.
What are the key properties of 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] has a molecular weight of 284.33 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is sourced from PubChem (CID 115097551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).