3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline

C18H12F3N — CID 172774821

IUPAC3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
SMILESFC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H
InChIKeyNLEDICMXEMTIGT-UHFFFAOYSA-N
MW299.30 g/mol
LogP5.34
Rot. Bonds2

About 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline

3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline (PubChem CID 172774821) has the molecular formula C18H12F3N and a molecular weight of 299.30 g/mol. Its IUPAC name is 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline.

Molecular Properties

Compound Name3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
PubChem CID172774821
Molecular FormulaC18H12F3N
Molecular Weight299.30 g/mol
Exact Mass299.09
IUPAC Name3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline
SMILESFC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H
InChIKeyNLEDICMXEMTIGT-UHFFFAOYSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.30
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-hydroxyphenyl)-3-quinolin-3-ylprop-2-enamide
CID 54293245
(Z)-2-(4-hydroxyphenyl)-3-quinolin-3-ylprop-2-enamide
CID 67704965
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
3-[(Z)-1-methoxy-2-phenylethenyl]quinoline
CID 101384122
4-[(2E)-2-(quinolin-3-ylmethylidene)hydrazinyl]benzoic acid
CID 21352234
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
3-(2,2,2-trifluoroethyl)quinoline
CID 102230069
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
carbonyl dichloride;quinoline-3-carboxylic acid
CID 175289113
quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
N-[(Z)-1,2-diphenylethenyl]-N-phenylaniline
CID 67853928

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The IUPAC name of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline (CID 172774821) is 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline.
What is the SMILES notation for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The canonical SMILES for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline is FC(F)(F)C(=Cc1cnc2ccccc2c1)c1ccccc1.
What is the InChIKey of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
The InChIKey is NLEDICMXEMTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N/c19-18(20,21)16(14-6-2-1-3-7-14)11-13-10-15-8-4-5-9-17(15)22-12-13/h1-12H.
What are the key properties of 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline?
3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline has a molecular weight of 299.30 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoro-2-phenylprop-1-enyl)quinoline is sourced from PubChem (CID 172774821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).