10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene

C16H11F4N — CID 162575710

IUPAC10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
SMILESFC1=CC(C(F)(F)F)=CC2C1=C1C=CC=CN1C1C=CC21
InChIInChI=1S/C16H11F4N/c17-12-8-9(16(18,19)20)7-11-10-4-5-13(10)21-6-2-1-3-14(21)15(11)12/h1-8,10-11,13H
InChIKeyTXXUYWHCSSYJOO-UHFFFAOYSA-N
MW293.26 g/mol
LogP4.17
Rot. Bonds

About 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene

10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene (PubChem CID 162575710) has the molecular formula C16H11F4N and a molecular weight of 293.26 g/mol. Its IUPAC name is 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene.

Molecular Properties

Compound Name10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
PubChem CID162575710
Molecular FormulaC16H11F4N
Molecular Weight293.26 g/mol
Exact Mass293.08
IUPAC Name10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene
SMILESFC1=CC(C(F)(F)F)=CC2C1=C1C=CC=CN1C1C=CC21
InChIInChI=1S/C16H11F4N/c17-12-8-9(16(18,19)20)7-11-10-4-5-13(10)21-6-2-1-3-14(21)15(11)12/h1-8,10-11,13H
InChIKeyTXXUYWHCSSYJOO-UHFFFAOYSA-N
XLogP4.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene?
The IUPAC name of 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene (CID 162575710) is 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene.
What is the SMILES notation for 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene?
The canonical SMILES for 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene is FC1=CC(C(F)(F)F)=CC2C1=C1C=CC=CN1C1C=CC21.
What is the InChIKey of 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene?
The InChIKey is TXXUYWHCSSYJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N/c17-12-8-9(16(18,19)20)7-11-10-4-5-13(10)21-6-2-1-3-14(21)15(11)12/h1-8,10-11,13H.
What are the key properties of 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene?
10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene has a molecular weight of 293.26 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-8-(trifluoromethyl)-1-azatetracyclo[10.4.0.02,5.06,11]hexadeca-3,7,9,11,13,15-hexaene is sourced from PubChem (CID 162575710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).