(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline

C17H14F3N — CID 172643181

IUPAC(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline
SMILESCC1=Nc2ccccc2C[C@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H14F3N/c1-12-16(17(18,19)20,14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)21-12/h2-10H,11H2,1H3/t16-/m0/s1
InChIKeyILGBQNVTVXQFIX-INIZCTEOSA-N
MW289.30 g/mol
LogP4.84
Rot. Bonds1

About (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline

(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline (PubChem CID 172643181) has the molecular formula C17H14F3N and a molecular weight of 289.30 g/mol. Its IUPAC name is (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline.

Molecular Properties

Compound Name(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline
PubChem CID172643181
Molecular FormulaC17H14F3N
Molecular Weight289.30 g/mol
Exact Mass289.11
IUPAC Name(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline
SMILESCC1=Nc2ccccc2C[C@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H14F3N/c1-12-16(17(18,19)20,14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)21-12/h2-10H,11H2,1H3/t16-/m0/s1
InChIKeyILGBQNVTVXQFIX-INIZCTEOSA-N
XLogP4.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-phenyl-4H-quinoline
CID 58982953
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CID 90978390
2-fluoro-3H-indole
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CID 20813056
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CID 14084887
acetic acid;2-methyl-3H-indole
CID 123241059
7-methyl-7-(trifluoromethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 178118507
N-methyl-2-(trifluoromethyl)-1,3-dihydroinden-2-amine
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5-phenyl-5-(trifluoromethyl)tetrazole
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1,3-diphenyl-3-(trifluoromethyl)-1,2-dihydroindene
CID 122232215

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
The IUPAC name of (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline (CID 172643181) is (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline.
What is the SMILES notation for (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
The canonical SMILES for (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline is CC1=Nc2ccccc2C[C@]1(c1ccccc1)C(F)(F)F.
What is the InChIKey of (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
The InChIKey is ILGBQNVTVXQFIX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H14F3N/c1-12-16(17(18,19)20,14-8-3-2-4-9-14)11-13-7-5-6-10-15(13)21-12/h2-10H,11H2,1H3/t16-/m0/s1.
What are the key properties of (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline?
(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline has a molecular weight of 289.30 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline is sourced from PubChem (CID 172643181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).