6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene

C18H6F4N10 — CID 170253088

IUPAC6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
SMILESCc1nc2c(nc1C)c1nc3nc(F)c(F)nc3nc1c1nc3nc(F)c(F)nc3nc21
InChIInChI=1S/C18H6F4N10/c1-3-4(2)24-6-5(23-3)7-9(27-17-15(25-7)29-11(19)13(21)31-17)10-8(6)26-16-18(28-10)32-14(22)12(20)30-16/h1-2H3
InChIKeyQUQBBIMDXPETJK-UHFFFAOYSA-N
MW438.31 g/mol
LogP2.58
Rot. Bonds

About 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene

6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene (PubChem CID 170253088) has the molecular formula C18H6F4N10 and a molecular weight of 438.31 g/mol. Its IUPAC name is 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene.

Molecular Properties

Compound Name6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
PubChem CID170253088
Molecular FormulaC18H6F4N10
Molecular Weight438.31 g/mol
Exact Mass438.07
IUPAC Name6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
SMILESCc1nc2c(nc1C)c1nc3nc(F)c(F)nc3nc1c1nc3nc(F)c(F)nc3nc21
InChIInChI=1S/C18H6F4N10/c1-3-4(2)24-6-5(23-3)7-9(27-17-15(25-7)29-11(19)13(21)31-17)10-8(6)26-16-18(28-10)32-14(22)12(20)30-16/h1-2H3
InChIKeyQUQBBIMDXPETJK-UHFFFAOYSA-N
XLogP2.58
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The IUPAC name of 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene (CID 170253088) is 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene.
What is the SMILES notation for 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The canonical SMILES for 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene is Cc1nc2c(nc1C)c1nc3nc(F)c(F)nc3nc1c1nc3nc(F)c(F)nc3nc21.
What is the InChIKey of 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
The InChIKey is QUQBBIMDXPETJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6F4N10/c1-3-4(2)24-6-5(23-3)7-9(27-17-15(25-7)29-11(19)13(21)31-17)10-8(6)26-16-18(28-10)32-14(22)12(20)30-16/h1-2H3.
What are the key properties of 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene?
6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene has a molecular weight of 438.31 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,22,23-tetrafluoro-14,15-dimethyl-3,5,8,10,13,16,19,21,24,26-decazahexacyclo[16.8.0.02,11.04,9.012,17.020,25]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene is sourced from PubChem (CID 170253088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).