4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline

C21H20F3N — CID 130343625

IUPAC4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline
SMILESCc1cc(C)c(C)c(-c2cc(CCC(F)(F)F)c3ccccc3n2)c1
InChIInChI=1S/C21H20F3N/c1-13-10-14(2)15(3)18(11-13)20-12-16(8-9-21(22,23)24)17-6-4-5-7-19(17)25-20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyHBRSXASECZQBBC-UHFFFAOYSA-N
MW343.39 g/mol
LogP6.32
Rot. Bonds3

About 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline

4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline (PubChem CID 130343625) has the molecular formula C21H20F3N and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline
PubChem CID130343625
Molecular FormulaC21H20F3N
Molecular Weight343.39 g/mol
Exact Mass343.15
IUPAC Name4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline
SMILESCc1cc(C)c(C)c(-c2cc(CCC(F)(F)F)c3ccccc3n2)c1
InChIInChI=1S/C21H20F3N/c1-13-10-14(2)15(3)18(11-13)20-12-16(8-9-21(22,23)24)17-6-4-5-7-19(17)25-20/h4-7,10-12H,8-9H2,1-3H3
InChIKeyHBRSXASECZQBBC-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethylphenyl)-5-(3,3,3-trifluoropropyl)quinoline
CID 121266831
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
2-[2-(2,5-dimethylphenyl)quinolin-4-yl]ethanamine
CID 91665334
2-phenyl-5-(3,3,3-trifluoropropyl)quinoline
CID 138464325
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
2-(3,5-dimethylphenyl)-4-(2-fluoro-2-methylpropyl)quinoline
CID 164787331
2,6-dimethyl-8-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 170140370
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
7,9-dimethyl-6-(2,2,2-trifluoroethylselanyl)phenanthridine
CID 155664103
1,2,5-trimethyl-3-phenylbenzene;hydrate
CID 130423762
phenacyl 2-(5-tert-butyl-2,3-dimethylphenyl)quinoline-4-carboxylate
CID 23937506

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline (CID 130343625) is 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline is Cc1cc(C)c(C)c(-c2cc(CCC(F)(F)F)c3ccccc3n2)c1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline?
The InChIKey is HBRSXASECZQBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N/c1-13-10-14(2)15(3)18(11-13)20-12-16(8-9-21(22,23)24)17-6-4-5-7-19(17)25-20/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline?
4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline has a molecular weight of 343.39 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline is sourced from PubChem (CID 130343625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).