2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

C23H24F4N4O — CID 71008323

IUPAC2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1c2c(c3nc(CF)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F4N4O/c24-11-16-12-28-22-21(29-16)20-17-3-1-2-9-30(17)10-8-18(20)31(22)13-19(32)14-4-6-15(7-5-14)23(25,26)27/h4-7,12,17,19,32H,1-3,8-11,13H2
InChIKeyZKCNFPNZYLZBTA-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.74
Rot. Bonds4

About 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol

2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 71008323) has the molecular formula C23H24F4N4O and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID71008323
Molecular FormulaC23H24F4N4O
Molecular Weight448.46 g/mol
Exact Mass448.19
IUPAC Name2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1c2c(c3nc(CF)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H24F4N4O/c24-11-16-12-28-22-21(29-16)20-17-3-1-2-9-30(17)10-8-18(20)31(22)13-19(32)14-4-6-15(7-5-14)23(25,26)27/h4-7,12,17,19,32H,1-3,8-11,13H2
InChIKeyZKCNFPNZYLZBTA-UHFFFAOYSA-N
XLogP4.74
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 71008323) is 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cn1c2c(c3nc(CF)cnc31)C1CCCCN1CC2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is ZKCNFPNZYLZBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N4O/c24-11-16-12-28-22-21(29-16)20-17-3-1-2-9-30(17)10-8-18(20)31(22)13-19(32)14-4-6-15(7-5-14)23(25,26)27/h4-7,12,17,19,32H,1-3,8-11,13H2.
What are the key properties of 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 448.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[15-(fluoromethyl)-7,11,13,16-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),12,14,16-tetraen-11-yl]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 71008323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).