2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene

C25H5F15 — CID 102451121

IUPAC2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
SMILESFC(F)(F)c1cc2c(C(F)(F)F)cc3c(C(F)(F)F)cc4c(C(F)(F)F)cc5c(C(F)(F)F)cc1c1c5c4c3c21
InChIInChI=1S/C25H5F15/c26-21(27,28)11-1-6-12(22(29,30)31)3-8-14(24(35,36)37)5-10-15(25(38,39)40)4-9-13(23(32,33)34)2-7(11)17-16(6)18(8)20(10)19(9)17/h1-5H
InChIKeyZRPFBUWEAZWMBU-UHFFFAOYSA-N
MW590.29 g/mol
LogP10.86
Rot. Bonds

About 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene

2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene (PubChem CID 102451121) has the molecular formula C25H5F15 and a molecular weight of 590.29 g/mol. Its IUPAC name is 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene.

Molecular Properties

Compound Name2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
PubChem CID102451121
Molecular FormulaC25H5F15
Molecular Weight590.29 g/mol
Exact Mass590.02
IUPAC Name2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
SMILESFC(F)(F)c1cc2c(C(F)(F)F)cc3c(C(F)(F)F)cc4c(C(F)(F)F)cc5c(C(F)(F)F)cc1c1c5c4c3c21
InChIInChI=1S/C25H5F15/c26-21(27,28)11-1-6-12(22(29,30)31)3-8-14(24(35,36)37)5-10-15(25(38,39)40)4-9-13(23(32,33)34)2-7(11)17-16(6)18(8)20(10)19(9)17/h1-5H
InChIKeyZRPFBUWEAZWMBU-UHFFFAOYSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.29
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene?
The IUPAC name of 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene (CID 102451121) is 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene.
What is the SMILES notation for 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene?
The canonical SMILES for 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene is FC(F)(F)c1cc2c(C(F)(F)F)cc3c(C(F)(F)F)cc4c(C(F)(F)F)cc5c(C(F)(F)F)cc1c1c5c4c3c21.
What is the InChIKey of 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene?
The InChIKey is ZRPFBUWEAZWMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H5F15/c26-21(27,28)11-1-6-12(22(29,30)31)3-8-14(24(35,36)37)5-10-15(25(38,39)40)4-9-13(23(32,33)34)2-7(11)17-16(6)18(8)20(10)19(9)17/h1-5H.
What are the key properties of 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene?
2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene has a molecular weight of 590.29 g/mol, XLogP of 10.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,20-pentakis(trifluoromethyl)hexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene is sourced from PubChem (CID 102451121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).