6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene

C18H19F3N2 — CID 18992336

IUPAC6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFC(F)(F)c1ccc2c(c1)CN1C(=N2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-1-2-16-13(8-14)9-23-15-6-10-3-11(7-15)5-12(4-10)17(23)22-16/h1-2,8,10-12,15H,3-7,9H2
InChIKeyAMDNHIZQQUJNDZ-UHFFFAOYSA-N
MW320.36 g/mol
LogP4.76
Rot. Bonds

About 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene

6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (PubChem CID 18992336) has the molecular formula C18H19F3N2 and a molecular weight of 320.36 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
PubChem CID18992336
Molecular FormulaC18H19F3N2
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene
SMILESFC(F)(F)c1ccc2c(c1)CN1C(=N2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H19F3N2/c19-18(20,21)14-1-2-16-13(8-14)9-23-15-6-10-3-11(7-15)5-12(4-10)17(23)22-16/h1-2,8,10-12,15H,3-7,9H2
InChIKeyAMDNHIZQQUJNDZ-UHFFFAOYSA-N
XLogP4.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The IUPAC name of 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene (CID 18992336) is 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene.
What is the SMILES notation for 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The canonical SMILES for 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene is FC(F)(F)c1ccc2c(c1)CN1C(=N2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
The InChIKey is AMDNHIZQQUJNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2/c19-18(20,21)14-1-2-16-13(8-14)9-23-15-6-10-3-11(7-15)5-12(4-10)17(23)22-16/h1-2,8,10-12,15H,3-7,9H2.
What are the key properties of 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene?
6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene has a molecular weight of 320.36 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,10-diazapentacyclo[12.3.1.112,16.02,11.04,9]nonadeca-4(9),5,7,10-tetraene is sourced from PubChem (CID 18992336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).