2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene

C20F10 — CID 58827575

IUPAC2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
SMILESFc1c(F)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c5c(F)c(F)c1c1c2c3c4c51
InChIInChI=1S/C20F10/c21-11-6-1-2-4-5-3(1)8(14(24)12(6)22)16(26)18(28)10(5)20(30)19(29)9(4)17(27)15(25)7(2)13(11)23
InChIKeyPDGUTNHKEKCBKH-UHFFFAOYSA-N
MW430.20 g/mol
LogP7.16
Rot. Bonds

About 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene

2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene (PubChem CID 58827575) has the molecular formula C20F10 and a molecular weight of 430.20 g/mol. Its IUPAC name is 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene.

Molecular Properties

Compound Name2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
PubChem CID58827575
Molecular FormulaC20F10
Molecular Weight430.20 g/mol
Exact Mass429.98
IUPAC Name2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
SMILESFc1c(F)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c5c(F)c(F)c1c1c2c3c4c51
InChIInChI=1S/C20F10/c21-11-6-1-2-4-5-3(1)8(14(24)12(6)22)16(26)18(28)10(5)20(30)19(29)9(4)17(27)15(25)7(2)13(11)23
InChIKeyPDGUTNHKEKCBKH-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.20
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene?
The IUPAC name of 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene (CID 58827575) is 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene.
What is the SMILES notation for 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene?
The canonical SMILES for 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene is Fc1c(F)c2c(F)c(F)c3c(F)c(F)c4c(F)c(F)c5c(F)c(F)c1c1c2c3c4c51.
What is the InChIKey of 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene?
The InChIKey is PDGUTNHKEKCBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20F10/c21-11-6-1-2-4-5-3(1)8(14(24)12(6)22)16(26)18(28)10(5)20(30)19(29)9(4)17(27)15(25)7(2)13(11)23.
What are the key properties of 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene?
2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene has a molecular weight of 430.20 g/mol, XLogP of 7.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene is sourced from PubChem (CID 58827575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).