2-(2,2,2-trifluoro-1-phenylethyl)quinoline

C17H12F3N — CID 122207773

IUPAC2-(2,2,2-trifluoro-1-phenylethyl)quinoline
SMILESFC(F)(F)C(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12F3N/c18-17(19,20)16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)21-15/h1-11,16H
InChIKeyWRPLMLKZWNJYOR-UHFFFAOYSA-N
MW287.28 g/mol
LogP4.93
Rot. Bonds2

About 2-(2,2,2-trifluoro-1-phenylethyl)quinoline

2-(2,2,2-trifluoro-1-phenylethyl)quinoline (PubChem CID 122207773) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-(2,2,2-trifluoro-1-phenylethyl)quinoline.

Molecular Properties

Compound Name2-(2,2,2-trifluoro-1-phenylethyl)quinoline
PubChem CID122207773
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-(2,2,2-trifluoro-1-phenylethyl)quinoline
SMILESFC(F)(F)C(c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C17H12F3N/c18-17(19,20)16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)21-15/h1-11,16H
InChIKeyWRPLMLKZWNJYOR-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
4-[(4-hydroxyphenyl)-quinolin-2-ylmethyl]phenol
CID 3084303
2-(1-deuterio-1-phenylpropyl)quinoline
CID 175702905
2-[phenyl(pyridin-2-yl)methyl]quinoline
CID 175958050
ethane;2-propan-2-ylquinoline
CID 142538504
methane;2-propan-2-ylquinoline
CID 161334581
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
2-(1-chloroethyl)quinoline
CID 14750485
amino(quinolin-2-yl)methanol
CID 154237779
iridium;tris(2-phenylquinoline)
CID 122129463
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoro-1-phenylethyl)quinoline?
The IUPAC name of 2-(2,2,2-trifluoro-1-phenylethyl)quinoline (CID 122207773) is 2-(2,2,2-trifluoro-1-phenylethyl)quinoline.
What is the SMILES notation for 2-(2,2,2-trifluoro-1-phenylethyl)quinoline?
The canonical SMILES for 2-(2,2,2-trifluoro-1-phenylethyl)quinoline is FC(F)(F)C(c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of 2-(2,2,2-trifluoro-1-phenylethyl)quinoline?
The InChIKey is WRPLMLKZWNJYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c18-17(19,20)16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)21-15/h1-11,16H.
What are the key properties of 2-(2,2,2-trifluoro-1-phenylethyl)quinoline?
2-(2,2,2-trifluoro-1-phenylethyl)quinoline has a molecular weight of 287.28 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoro-1-phenylethyl)quinoline is sourced from PubChem (CID 122207773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).