6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline

C18H17F2N — CID 10613134

IUPAC6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C18H17F2N/c1-11-10-18(2,3)21-17-5-4-12(8-16(11)17)13-6-14(19)9-15(20)7-13/h4-10,21H,1-3H3
InChIKeyXFRVMTJXAGNUEA-UHFFFAOYSA-N
MW285.34 g/mol
LogP5.24
Rot. Bonds1

About 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline

6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 10613134) has the molecular formula C18H17F2N and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline
PubChem CID10613134
Molecular FormulaC18H17F2N
Molecular Weight285.34 g/mol
Exact Mass285.13
IUPAC Name6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(F)c3)cc21
InChIInChI=1S/C18H17F2N/c1-11-10-18(2,3)21-17-5-4-12(8-16(11)17)13-6-14(19)9-15(20)7-13/h4-10,21H,1-3H3
InChIKeyXFRVMTJXAGNUEA-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.34
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline (CID 10613134) is 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(F)c3)cc21.
What is the InChIKey of 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is XFRVMTJXAGNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N/c1-11-10-18(2,3)21-17-5-4-12(8-16(11)17)13-6-14(19)9-15(20)7-13/h4-10,21H,1-3H3.
What are the key properties of 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline?
6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 285.34 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 10613134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).