2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline

C20H18F3N — CID 121266831

IUPAC2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c1
InChIInChI=1S/C20H18F3N/c1-13-10-14(2)12-16(11-13)18-7-6-17-15(8-9-20(21,22)23)4-3-5-19(17)24-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKLIHTMCAQNIGFE-UHFFFAOYSA-N
MW329.37 g/mol
LogP6.01
Rot. Bonds3

About 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline

2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline (PubChem CID 121266831) has the molecular formula C20H18F3N and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
PubChem CID121266831
Molecular FormulaC20H18F3N
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
SMILESCc1cc(C)cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c1
InChIInChI=1S/C20H18F3N/c1-13-10-14(2)12-16(11-13)18-7-6-17-15(8-9-20(21,22)23)4-3-5-19(17)24-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyKLIHTMCAQNIGFE-UHFFFAOYSA-N
XLogP6.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.37
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline?
The IUPAC name of 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline (CID 121266831) is 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline?
The canonical SMILES for 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline is Cc1cc(C)cc(-c2ccc3c(CCC(F)(F)F)cccc3n2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline?
The InChIKey is KLIHTMCAQNIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N/c1-13-10-14(2)12-16(11-13)18-7-6-17-15(8-9-20(21,22)23)4-3-5-19(17)24-18/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline?
2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline has a molecular weight of 329.37 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline is sourced from PubChem (CID 121266831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).