7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione

C20H13ClF3NO2 — CID 10340440

IUPAC7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C20H13ClF3NO2/c21-13-4-5-15-14(9-13)19(27)18-16(25-15)7-11(8-17(18)26)10-2-1-3-12(6-10)20(22,23)24/h1-6,9,11H,7-8H2,(H,25,27)
InChIKeyXVNRQXNSDAAHFU-UHFFFAOYSA-N
MW391.78 g/mol
LogP5.11
Rot. Bonds1

About 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione

7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione (PubChem CID 10340440) has the molecular formula C20H13ClF3NO2 and a molecular weight of 391.78 g/mol. Its IUPAC name is 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione.

Molecular Properties

Compound Name7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione
PubChem CID10340440
Molecular FormulaC20H13ClF3NO2
Molecular Weight391.78 g/mol
Exact Mass391.06
IUPAC Name7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione
SMILESO=C1CC(c2cccc(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21
InChIInChI=1S/C20H13ClF3NO2/c21-13-4-5-15-14(9-13)19(27)18-16(25-15)7-11(8-17(18)26)10-2-1-3-12(6-10)20(22,23)24/h1-6,9,11H,7-8H2,(H,25,27)
InChIKeyXVNRQXNSDAAHFU-UHFFFAOYSA-N
XLogP5.11
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione?
The IUPAC name of 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione (CID 10340440) is 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione.
What is the SMILES notation for 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione?
The canonical SMILES for 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione is O=C1CC(c2cccc(C(F)(F)F)c2)Cc2[nH]c3ccc(Cl)cc3c(=O)c21.
What is the InChIKey of 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione?
The InChIKey is XVNRQXNSDAAHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3NO2/c21-13-4-5-15-14(9-13)19(27)18-16(25-15)7-11(8-17(18)26)10-2-1-3-12(6-10)20(22,23)24/h1-6,9,11H,7-8H2,(H,25,27).
What are the key properties of 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione?
7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione has a molecular weight of 391.78 g/mol, XLogP of 5.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydroacridine-1,9-dione is sourced from PubChem (CID 10340440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).