6-ethyl-4-methyl-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]

C16H19F3N6O — CID 170394630

IUPAC6-ethyl-4-methyl-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]
SMILESCCn1nc(C)c2c1OCC1(CC1)CNc1nc(ncc1C(F)(F)F)N2
InChIInChI=1S/C16H19F3N6O/c1-3-25-13-11(9(2)24-25)22-14-20-6-10(16(17,18)19)12(23-14)21-7-15(4-5-15)8-26-13/h6H,3-5,7-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyRDOAXCNFNBJOHY-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.35
Rot. Bonds1

About 6-ethyl-4-methyl-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]

6-ethyl-4-methyl-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 170394630) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 6-ethyl-4-methyl-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 Name6-ethyl-4-methyl-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 CID170394630
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name6-ethyl-4-methyl-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]
SMILESCCn1nc(C)c2c1OCC1(CC1)CNc1nc(ncc1C(F)(F)F)N2
InChIInChI=1S/C16H19F3N6O/c1-3-25-13-11(9(2)24-25)22-14-20-6-10(16(17,18)19)12(23-14)21-7-15(4-5-15)8-26-13/h6H,3-5,7-8H2,1-2H3,(H2,20,21,22,23)
InChIKeyRDOAXCNFNBJOHY-UHFFFAOYSA-N
XLogP3.35
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-4-methyl-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 6-ethyl-4-methyl-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 6-ethyl-4-methyl-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 170394630) is 6-ethyl-4-methyl-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 6-ethyl-4-methyl-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 6-ethyl-4-methyl-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 CCn1nc(C)c2c1OCC1(CC1)CNc1nc(ncc1C(F)(F)F)N2.
What is the InChIKey of 6-ethyl-4-methyl-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 RDOAXCNFNBJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-3-25-13-11(9(2)24-25)22-14-20-6-10(16(17,18)19)12(23-14)21-7-15(4-5-15)8-26-13/h6H,3-5,7-8H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-ethyl-4-methyl-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]?
6-ethyl-4-methyl-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 368.36 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-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 170394630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).