2-(difluoromethyl)-6-methyl-4-phenylquinoline

C17H13F2N — CID 164677049

IUPAC2-(difluoromethyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(C(F)F)cc(-c3ccccc3)c2c1
InChIInChI=1S/C17H13F2N/c1-11-7-8-15-14(9-11)13(10-16(20-15)17(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeyJVEUBQNJTRTNNN-UHFFFAOYSA-N
MW269.29 g/mol
LogP5.15
Rot. Bonds2

About 2-(difluoromethyl)-6-methyl-4-phenylquinoline

2-(difluoromethyl)-6-methyl-4-phenylquinoline (PubChem CID 164677049) has the molecular formula C17H13F2N and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-methyl-4-phenylquinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-6-methyl-4-phenylquinoline
PubChem CID164677049
Molecular FormulaC17H13F2N
Molecular Weight269.29 g/mol
Exact Mass269.10
IUPAC Name2-(difluoromethyl)-6-methyl-4-phenylquinoline
SMILESCc1ccc2nc(C(F)F)cc(-c3ccccc3)c2c1
InChIInChI=1S/C17H13F2N/c1-11-7-8-15-14(9-11)13(10-16(20-15)17(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3
InChIKeyJVEUBQNJTRTNNN-UHFFFAOYSA-N
XLogP5.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-2-naphthalen-1-yl-4-phenylquinoline
CID 154716813
6-methyl-N,4-diphenylquinolin-2-amine
CID 139231040
6-methyl-4-phenylquinoline
CID 15512349
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
7-methyl-2,4-diphenylquinoline
CID 13048584
7-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 154716816
6-methyl-2,4-dinaphthalen-2-ylquinoline
CID 164677204
3,6-dimethyl-1-phenylnaphthalene
CID 123256332
4-fluoro-6-methyl-2-propan-2-ylquinoline
CID 143840207
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
CID 15213749
2-(difluoromethyl)-4-naphthalen-1-ylquinoline
CID 164677795
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-methyl-4-phenylquinoline?
The IUPAC name of 2-(difluoromethyl)-6-methyl-4-phenylquinoline (CID 164677049) is 2-(difluoromethyl)-6-methyl-4-phenylquinoline.
What is the SMILES notation for 2-(difluoromethyl)-6-methyl-4-phenylquinoline?
The canonical SMILES for 2-(difluoromethyl)-6-methyl-4-phenylquinoline is Cc1ccc2nc(C(F)F)cc(-c3ccccc3)c2c1.
What is the InChIKey of 2-(difluoromethyl)-6-methyl-4-phenylquinoline?
The InChIKey is JVEUBQNJTRTNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N/c1-11-7-8-15-14(9-11)13(10-16(20-15)17(18)19)12-5-3-2-4-6-12/h2-10,17H,1H3.
What are the key properties of 2-(difluoromethyl)-6-methyl-4-phenylquinoline?
2-(difluoromethyl)-6-methyl-4-phenylquinoline has a molecular weight of 269.29 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-methyl-4-phenylquinoline is sourced from PubChem (CID 164677049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).