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

C15H19F3N2 — CID 115097937

IUPAC4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCN1c2c(cccc2C(F)(F)F)NCC12CCCCC2
InChIInChI=1S/C15H19F3N2/c1-20-13-11(15(16,17)18)6-5-7-12(13)19-10-14(20)8-3-2-4-9-14/h5-7,19H,2-4,8-10H2,1H3
InChIKeyBMRWFTMELOESIO-UHFFFAOYSA-N
MW284.32 g/mol
LogP4.27
Rot. Bonds

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

4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (PubChem CID 115097937) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].

Molecular Properties

Compound Name4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
PubChem CID115097937
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
SMILESCN1c2c(cccc2C(F)(F)F)NCC12CCCCC2
InChIInChI=1S/C15H19F3N2/c1-20-13-11(15(16,17)18)6-5-7-12(13)19-10-14(20)8-3-2-4-9-14/h5-7,19H,2-4,8-10H2,1H3
InChIKeyBMRWFTMELOESIO-UHFFFAOYSA-N
XLogP4.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The IUPAC name of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] (CID 115097937) is 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane].
What is the SMILES notation for 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The canonical SMILES for 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] is CN1c2c(cccc2C(F)(F)F)NCC12CCCCC2.
What is the InChIKey of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
The InChIKey is BMRWFTMELOESIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c1-20-13-11(15(16,17)18)6-5-7-12(13)19-10-14(20)8-3-2-4-9-14/h5-7,19H,2-4,8-10H2,1H3.
What are the key properties of 4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]?
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane] has a molecular weight of 284.32 g/mol, XLogP of 4.27, 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'-cyclohexane] is sourced from PubChem (CID 115097937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).