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

C18H14F3N — CID 138464325

IUPAC2-phenyl-5-(3,3,3-trifluoropropyl)quinoline
SMILESFC(F)(F)CCc1cccc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H14F3N/c19-18(20,21)12-11-13-7-4-8-17-15(13)9-10-16(22-17)14-5-2-1-3-6-14/h1-10H,11-12H2
InChIKeyPWKDBUUUYDBTDL-UHFFFAOYSA-N
MW301.31 g/mol
LogP5.40
Rot. Bonds3

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

2-phenyl-5-(3,3,3-trifluoropropyl)quinoline (PubChem CID 138464325) has the molecular formula C18H14F3N and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline.

Molecular Properties

Compound Name2-phenyl-5-(3,3,3-trifluoropropyl)quinoline
PubChem CID138464325
Molecular FormulaC18H14F3N
Molecular Weight301.31 g/mol
Exact Mass301.11
IUPAC Name2-phenyl-5-(3,3,3-trifluoropropyl)quinoline
SMILESFC(F)(F)CCc1cccc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C18H14F3N/c19-18(20,21)12-11-13-7-4-8-17-15(13)9-10-16(22-17)14-5-2-1-3-6-14/h1-10H,11-12H2
InChIKeyPWKDBUUUYDBTDL-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 55.40
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-(3,3,3-trifluoropropyl)-2-(2,3,5-trimethylphenyl)quinoline
CID 130343625
iridium;tris(2-phenylquinoline)
CID 122129463
deuterio-(2-phenylquinolin-4-yl)methanol
CID 88591215
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
5-[3-(difluoromethyl)-2,4,4,4-tetrafluorobutyl]-2-(3,5-dimethylphenyl)quinoline
CID 175323095
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
CID 157434360
5,7-diethyl-2-phenylquinoline
CID 170528035
4-methyl-2-(4,4,4-trifluorobutyl)quinoline
CID 164668878
2-phenyl-6-(2,2,2-trifluoroethoxy)pyridine
CID 135043638
(2-phenylquinolin-4-yl)methanamine;hydrochloride
CID 82025622
2,5,7-triphenylquinoline
CID 91559577

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline?
The IUPAC name of 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline (CID 138464325) is 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline.
What is the SMILES notation for 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline?
The canonical SMILES for 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline is FC(F)(F)CCc1cccc2nc(-c3ccccc3)ccc12.
What is the InChIKey of 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline?
The InChIKey is PWKDBUUUYDBTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N/c19-18(20,21)12-11-13-7-4-8-17-15(13)9-10-16(22-17)14-5-2-1-3-6-14/h1-10H,11-12H2.
What are the key properties of 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline?
2-phenyl-5-(3,3,3-trifluoropropyl)quinoline has a molecular weight of 301.31 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(3,3,3-trifluoropropyl)quinoline is sourced from PubChem (CID 138464325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).