1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene

C23H15F9 — CID 102112732

IUPAC1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene
SMILESCc1ccc2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3
InChIInChI=1S/C23H15F9/c1-8-5-6-12-13(21(24,25)26)7-9(2)15-17-11(4)20(23(30,31)32)19(22(27,28)29)10(3)16(17)14(8)18(12)15/h5-7H,1-4H3
InChIKeyVITTZXJDNQEQAA-UHFFFAOYSA-N
MW462.36 g/mol
LogP8.78
Rot. Bonds

About 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene

1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene (PubChem CID 102112732) has the molecular formula C23H15F9 and a molecular weight of 462.36 g/mol. Its IUPAC name is 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene.

Molecular Properties

Compound Name1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene
PubChem CID102112732
Molecular FormulaC23H15F9
Molecular Weight462.36 g/mol
Exact Mass462.10
IUPAC Name1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene
SMILESCc1ccc2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3
InChIInChI=1S/C23H15F9/c1-8-5-6-12-13(21(24,25)26)7-9(2)15-17-11(4)20(23(30,31)32)19(22(27,28)29)10(3)16(17)14(8)18(12)15/h5-7H,1-4H3
InChIKeyVITTZXJDNQEQAA-UHFFFAOYSA-N
XLogP8.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.36
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene?
The IUPAC name of 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene (CID 102112732) is 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene.
What is the SMILES notation for 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene?
The canonical SMILES for 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene is Cc1ccc2c(C(F)(F)F)cc(C)c3c2c1-c1c(C)c(C(F)(F)F)c(C(F)(F)F)c(C)c1-3.
What is the InChIKey of 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene?
The InChIKey is VITTZXJDNQEQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F9/c1-8-5-6-12-13(21(24,25)26)7-9(2)15-17-11(4)20(23(30,31)32)19(22(27,28)29)10(3)16(17)14(8)18(12)15/h5-7H,1-4H3.
What are the key properties of 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene?
1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene has a molecular weight of 462.36 g/mol, XLogP of 8.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7,10-tetramethyl-3,8,9-tris(trifluoromethyl)fluoranthene is sourced from PubChem (CID 102112732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).