14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

C23H23F4N3 — CID 71007642

IUPAC14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H23F4N3/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27/h3-8,18H,1-2,9-14H2
InChIKeyNTDTZSFPUFDEQY-UHFFFAOYSA-N
MW417.45 g/mol
LogP5.46
Rot. Bonds4

About 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene

14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (PubChem CID 71007642) has the molecular formula C23H23F4N3 and a molecular weight of 417.45 g/mol. Its IUPAC name is 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.

Molecular Properties

Compound Name14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
PubChem CID71007642
Molecular FormulaC23H23F4N3
Molecular Weight417.45 g/mol
Exact Mass417.18
IUPAC Name14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
SMILESFCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C23H23F4N3/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27/h3-8,18H,1-2,9-14H2
InChIKeyNTDTZSFPUFDEQY-UHFFFAOYSA-N
XLogP5.46
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The IUPAC name of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene (CID 71007642) is 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene.
What is the SMILES notation for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The canonical SMILES for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is FCc1ccc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12.
What is the InChIKey of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
The InChIKey is NTDTZSFPUFDEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F4N3/c24-14-17-7-8-20-22(28-17)21-18-2-1-11-29(18)12-10-19(21)30(20)13-9-15-3-5-16(6-4-15)23(25,26)27/h3-8,18H,1-2,9-14H2.
What are the key properties of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene?
14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene has a molecular weight of 417.45 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene is sourced from PubChem (CID 71007642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).