10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine

C16H13F6N — CID 89434043

IUPAC10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine
SMILESCN1C2=C(C=CCC2)C(C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H13F6N/c1-23-12-8-4-2-6-10(12)14(15(17,18)19,16(20,21)22)11-7-3-5-9-13(11)23/h2-4,6-8H,5,9H2,1H3
InChIKeyMQDTWWCGWQDDRR-UHFFFAOYSA-N
MW333.28 g/mol
LogP5.10
Rot. Bonds

About 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine

10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine (PubChem CID 89434043) has the molecular formula C16H13F6N and a molecular weight of 333.28 g/mol. Its IUPAC name is 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine.

Molecular Properties

Compound Name10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine
PubChem CID89434043
Molecular FormulaC16H13F6N
Molecular Weight333.28 g/mol
Exact Mass333.10
IUPAC Name10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine
SMILESCN1C2=C(C=CCC2)C(C(F)(F)F)(C(F)(F)F)c2ccccc21
InChIInChI=1S/C16H13F6N/c1-23-12-8-4-2-6-10(12)14(15(17,18)19,16(20,21)22)11-7-3-5-9-13(11)23/h2-4,6-8H,5,9H2,1H3
InChIKeyMQDTWWCGWQDDRR-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.28
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine?
The IUPAC name of 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine (CID 89434043) is 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine.
What is the SMILES notation for 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine?
The canonical SMILES for 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine is CN1C2=C(C=CCC2)C(C(F)(F)F)(C(F)(F)F)c2ccccc21.
What is the InChIKey of 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine?
The InChIKey is MQDTWWCGWQDDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N/c1-23-12-8-4-2-6-10(12)14(15(17,18)19,16(20,21)22)11-7-3-5-9-13(11)23/h2-4,6-8H,5,9H2,1H3.
What are the key properties of 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine?
10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine has a molecular weight of 333.28 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-9,9-bis(trifluoromethyl)-3,4-dihydroacridine is sourced from PubChem (CID 89434043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).