6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

C16H15F2N — CID 81224165

IUPAC6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-c3ccc(F)cc3F)ccc2N1
InChIInChI=1S/C16H15F2N/c1-10-2-3-12-8-11(4-7-16(12)19-10)14-6-5-13(17)9-15(14)18/h4-10,19H,2-3H2,1H3
InChIKeyHGPKGJPSKVNXSH-UHFFFAOYSA-N
MW259.30 g/mol
LogP4.38
Rot. Bonds1

About 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline

6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 81224165) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID81224165
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(-c3ccc(F)cc3F)ccc2N1
InChIInChI=1S/C16H15F2N/c1-10-2-3-12-8-11(4-7-16(12)19-10)14-6-5-13(17)9-15(14)18/h4-10,19H,2-3H2,1H3
InChIKeyHGPKGJPSKVNXSH-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline (CID 81224165) is 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(-c3ccc(F)cc3F)ccc2N1.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGPKGJPSKVNXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c1-10-2-3-12-8-11(4-7-16(12)19-10)14-6-5-13(17)9-15(14)18/h4-10,19H,2-3H2,1H3.
What are the key properties of 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline?
6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.30 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81224165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).