6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one

C14H12F3NO — CID 53363019

IUPAC6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCC2
InChIInChI=1S/C14H12F3NO/c15-14(16,17)8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)19/h5-7H,1-4H2,(H,18,19)
InChIKeyHMGHQUBMNPHEHV-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.43
Rot. Bonds

About 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one

6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53363019) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53363019
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCC2
InChIInChI=1S/C14H12F3NO/c15-14(16,17)8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)19/h5-7H,1-4H2,(H,18,19)
InChIKeyHMGHQUBMNPHEHV-UHFFFAOYSA-N
XLogP3.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
2-Phenyl-4-oxohydroquinoline
CID 161091
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
2-Methylquinolin-4-ol
CID 69089
7-(Trifluorophenyl)quinolin-4-ol
CID 67582
Aurachin D
CID 6124753
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590
2,6-Bis(trifluoromethyl)quinolin-4(1H)-one
CID 2736155
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53363019) is 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3cc(C(F)(F)F)ccc13)CCCC2.
What is the InChIKey of 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is HMGHQUBMNPHEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)8-5-6-10-12(7-8)18-11-4-2-1-3-9(11)13(10)19/h5-7H,1-4H2,(H,18,19).
What are the key properties of 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one?
6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 267.25 g/mol, XLogP of 3.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53363019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).