4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]

C15H17F3N6O — CID 170394888

IUPAC4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]
SMILESCc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)NCC1(CC1)CO2
InChIInChI=1S/C15H17F3N6O/c1-8-10-12(24(2)23-8)25-7-14(3-4-14)6-20-11-9(15(16,17)18)5-19-13(21-10)22-11/h5H,3-4,6-7H2,1-2H3,(H2,19,20,21,22)
InChIKeyQEFBMZZJCRZLAN-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.87
Rot. Bonds

About 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]

4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] (PubChem CID 170394888) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane].

Molecular Properties

Compound Name4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]
PubChem CID170394888
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]
SMILESCc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)NCC1(CC1)CO2
InChIInChI=1S/C15H17F3N6O/c1-8-10-12(24(2)23-8)25-7-14(3-4-14)6-20-11-9(15(16,17)18)5-19-13(21-10)22-11/h5H,3-4,6-7H2,1-2H3,(H2,19,20,21,22)
InChIKeyQEFBMZZJCRZLAN-UHFFFAOYSA-N
XLogP2.87
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]?
The IUPAC name of 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] (CID 170394888) is 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane].
What is the SMILES notation for 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]?
The canonical SMILES for 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] is Cc1nn(C)c2c1Nc1ncc(C(F)(F)F)c(n1)NCC1(CC1)CO2.
What is the InChIKey of 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]?
The InChIKey is QEFBMZZJCRZLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-8-10-12(24(2)23-8)25-7-14(3-4-14)6-20-11-9(15(16,17)18)5-19-13(21-10)22-11/h5H,3-4,6-7H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane]?
4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] has a molecular weight of 354.34 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-14-(trifluoromethyl)spiro[8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaene-10,1'-cyclopropane] is sourced from PubChem (CID 170394888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).