6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene

C24H13F3O2 — CID 58410849

IUPAC6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
SMILESCc1cc2cc3c(ccc4c5cc6cc(C(F)(F)F)oc6cc5ccc34)cc2o1
InChIInChI=1S/C24H13F3O2/c1-12-6-15-7-19-13(9-21(15)28-12)2-4-18-17(19)5-3-14-10-22-16(8-20(14)18)11-23(29-22)24(25,26)27/h2-11H,1H3
InChIKeyVUEYEUISHSSKCS-UHFFFAOYSA-N
MW390.36 g/mol
LogP7.97
Rot. Bonds

About 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene

6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene (PubChem CID 58410849) has the molecular formula C24H13F3O2 and a molecular weight of 390.36 g/mol. Its IUPAC name is 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene.

Molecular Properties

Compound Name6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
PubChem CID58410849
Molecular FormulaC24H13F3O2
Molecular Weight390.36 g/mol
Exact Mass390.09
IUPAC Name6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene
SMILESCc1cc2cc3c(ccc4c5cc6cc(C(F)(F)F)oc6cc5ccc34)cc2o1
InChIInChI=1S/C24H13F3O2/c1-12-6-15-7-19-13(9-21(15)28-12)2-4-18-17(19)5-3-14-10-22-16(8-20(14)18)11-23(29-22)24(25,26)27/h2-11H,1H3
InChIKeyVUEYEUISHSSKCS-UHFFFAOYSA-N
XLogP7.97
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.36
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene with MolForge

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Related Compounds

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2-methyl-1-benzofuran-6-thiol
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10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
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2-methyl-7-(trifluoromethyl)chromen-4-one
CID 125486339
2-methyl-4-(trifluoromethyl)-1-benzofuran
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6,18-diethyl-5,17-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),6,9,11,14,16(20),18,21,23-undecaene
CID 58411330
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
N-methoxy-1-[2-(trifluoromethyl)-1-benzofuran-5-yl]methanamine
CID 117364183
6,7-dimethoxy-2-(trifluoromethyl)chromen-4-one
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2-(1,1-difluoroethyl)-1-benzofuran-6-ol
CID 84668031
3,10-bis(trifluoromethyl)picene
CID 88902241

Frequently Asked Questions

What is the IUPAC name of 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene?
The IUPAC name of 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene (CID 58410849) is 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene.
What is the SMILES notation for 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene?
The canonical SMILES for 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene is Cc1cc2cc3c(ccc4c5cc6cc(C(F)(F)F)oc6cc5ccc34)cc2o1.
What is the InChIKey of 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene?
The InChIKey is VUEYEUISHSSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13F3O2/c1-12-6-15-7-19-13(9-21(15)28-12)2-4-18-17(19)5-3-14-10-22-16(8-20(14)18)11-23(29-22)24(25,26)27/h2-11H,1H3.
What are the key properties of 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene?
6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene has a molecular weight of 390.36 g/mol, XLogP of 7.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-18-(trifluoromethyl)-7,19-dioxahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),5,9,11,14,16(20),17,21,23-undecaene is sourced from PubChem (CID 58410849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).