8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline

C17H12F3N — CID 126516375

IUPAC8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc2cccnc12
InChIInChI=1S/C17H12F3N/c1-11-10-13(17(18,19)20)7-8-14(11)15-6-2-4-12-5-3-9-21-16(12)15/h2-10H,1H3
InChIKeyBKNHOUAVSZZTLZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP5.23
Rot. Bonds1

About 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline

8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline (PubChem CID 126516375) has the molecular formula C17H12F3N and a molecular weight of 287.28 g/mol. Its IUPAC name is 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline.

Molecular Properties

Compound Name8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
PubChem CID126516375
Molecular FormulaC17H12F3N
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline
SMILESCc1cc(C(F)(F)F)ccc1-c1cccc2cccnc12
InChIInChI=1S/C17H12F3N/c1-11-10-13(17(18,19)20)7-8-14(11)15-6-2-4-12-5-3-9-21-16(12)15/h2-10H,1H3
InChIKeyBKNHOUAVSZZTLZ-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.28
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline?
The IUPAC name of 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline (CID 126516375) is 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline.
What is the SMILES notation for 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline?
The canonical SMILES for 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline is Cc1cc(C(F)(F)F)ccc1-c1cccc2cccnc12.
What is the InChIKey of 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline?
The InChIKey is BKNHOUAVSZZTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N/c1-11-10-13(17(18,19)20)7-8-14(11)15-6-2-4-12-5-3-9-21-16(12)15/h2-10H,1H3.
What are the key properties of 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline?
8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline has a molecular weight of 287.28 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methyl-4-(trifluoromethyl)phenyl]quinoline is sourced from PubChem (CID 126516375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).