7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine

C18H12F3N — CID 162535864

IUPAC7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine
SMILESFC(F)(F)c1c2c(nc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C18H12F3N/c19-18(20,21)16-13-7-3-4-8-15(13)22-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2
InChIKeyBIEKDBNIKHJCAL-UHFFFAOYSA-N
MW299.30 g/mol
LogP5.02
Rot. Bonds

About 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine

7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine (PubChem CID 162535864) has the molecular formula C18H12F3N and a molecular weight of 299.30 g/mol. Its IUPAC name is 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine.

Molecular Properties

Compound Name7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine
PubChem CID162535864
Molecular FormulaC18H12F3N
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine
SMILESFC(F)(F)c1c2c(nc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C18H12F3N/c19-18(20,21)16-13-7-3-4-8-15(13)22-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2
InChIKeyBIEKDBNIKHJCAL-UHFFFAOYSA-N
XLogP5.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.30
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine?
The IUPAC name of 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine (CID 162535864) is 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine.
What is the SMILES notation for 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine?
The canonical SMILES for 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine is FC(F)(F)c1c2c(nc3ccccc13)-c1ccccc1CC2.
What is the InChIKey of 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine?
The InChIKey is BIEKDBNIKHJCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N/c19-18(20,21)16-13-7-3-4-8-15(13)22-17-12-6-2-1-5-11(12)9-10-14(16)17/h1-8H,9-10H2.
What are the key properties of 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine?
7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine has a molecular weight of 299.30 g/mol, XLogP of 5.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-5,6-dihydrobenzo[c]acridine is sourced from PubChem (CID 162535864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).