14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene

C22H22F4N4 — CID 71007567

IUPAC14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
SMILESFCc1cnc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C22H22F4N4/c23-12-16-13-27-21-20(28-16)19-17-2-1-9-29(17)10-8-18(19)30(21)11-7-14-3-5-15(6-4-14)22(24,25)26/h3-6,13,17H,1-2,7-12H2
InChIKeyCCGNTSHJZRBVSV-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.86
Rot. Bonds4

About 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene

14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene (PubChem CID 71007567) has the molecular formula C22H22F4N4 and a molecular weight of 418.44 g/mol. Its IUPAC name is 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene.

Molecular Properties

Compound Name14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
PubChem CID71007567
Molecular FormulaC22H22F4N4
Molecular Weight418.44 g/mol
Exact Mass418.18
IUPAC Name14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene
SMILESFCc1cnc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12
InChIInChI=1S/C22H22F4N4/c23-12-16-13-27-21-20(28-16)19-17-2-1-9-29(17)10-8-18(19)30(21)11-7-14-3-5-15(6-4-14)22(24,25)26/h3-6,13,17H,1-2,7-12H2
InChIKeyCCGNTSHJZRBVSV-UHFFFAOYSA-N
XLogP4.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The IUPAC name of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene (CID 71007567) is 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene.
What is the SMILES notation for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The canonical SMILES for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene is FCc1cnc2c(n1)c1c(n2CCc2ccc(C(F)(F)F)cc2)CCN2CCCC12.
What is the InChIKey of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
The InChIKey is CCGNTSHJZRBVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4/c23-12-16-13-27-21-20(28-16)19-17-2-1-9-29(17)10-8-18(19)30(21)11-7-14-3-5-15(6-4-14)22(24,25)26/h3-6,13,17H,1-2,7-12H2.
What are the key properties of 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene?
14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene has a molecular weight of 418.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(fluoromethyl)-10-[2-[4-(trifluoromethyl)phenyl]ethyl]-6,10,12,15-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraene is sourced from PubChem (CID 71007567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).