7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene

C14H11F3N2 — CID 150251728

IUPAC7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene
SMILESFC(F)(F)C1=CC2=C(CC1)CN1C3=CC=C(C3)C1=N2
InChIInChI=1S/C14H11F3N2/c15-14(16,17)10-3-1-9-7-19-11-4-2-8(5-11)13(19)18-12(9)6-10/h2,4,6H,1,3,5,7H2
InChIKeyFZRUNRKYCKZHEK-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.46
Rot. Bonds

About 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene

7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene (PubChem CID 150251728) has the molecular formula C14H11F3N2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene.

Molecular Properties

Compound Name7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene
PubChem CID150251728
Molecular FormulaC14H11F3N2
Molecular Weight264.25 g/mol
Exact Mass264.09
IUPAC Name7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene
SMILESFC(F)(F)C1=CC2=C(CC1)CN1C3=CC=C(C3)C1=N2
InChIInChI=1S/C14H11F3N2/c15-14(16,17)10-3-1-9-7-19-11-4-2-8(5-11)13(19)18-12(9)6-10/h2,4,6H,1,3,5,7H2
InChIKeyFZRUNRKYCKZHEK-UHFFFAOYSA-N
XLogP3.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene?
The IUPAC name of 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene (CID 150251728) is 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene.
What is the SMILES notation for 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene?
The canonical SMILES for 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene is FC(F)(F)C1=CC2=C(CC1)CN1C3=CC=C(C3)C1=N2.
What is the InChIKey of 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene?
The InChIKey is FZRUNRKYCKZHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2/c15-14(16,17)10-3-1-9-7-19-11-4-2-8(5-11)13(19)18-12(9)6-10/h2,4,6H,1,3,5,7H2.
What are the key properties of 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene?
7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene has a molecular weight of 264.25 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-1(14),4(9),7,10,12-pentaene is sourced from PubChem (CID 150251728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).