6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline

C17H16FN — CID 139935726

IUPAC6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline
SMILESCC1(C)CC=Nc2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C17H16FN/c1-17(2)8-9-19-16-7-6-13(11-15(16)17)12-4-3-5-14(18)10-12/h3-7,9-11H,8H2,1-2H3
InChIKeyJEPINUJCDFISIS-UHFFFAOYSA-N
MW253.32 g/mol
LogP4.88
Rot. Bonds1

About 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline

6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline (PubChem CID 139935726) has the molecular formula C17H16FN and a molecular weight of 253.32 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline.

Molecular Properties

Compound Name6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline
PubChem CID139935726
Molecular FormulaC17H16FN
Molecular Weight253.32 g/mol
Exact Mass253.13
IUPAC Name6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline
SMILESCC1(C)CC=Nc2ccc(-c3cccc(F)c3)cc21
InChIInChI=1S/C17H16FN/c1-17(2)8-9-19-16-7-6-13(11-15(16)17)12-4-3-5-14(18)10-12/h3-7,9-11H,8H2,1-2H3
InChIKeyJEPINUJCDFISIS-UHFFFAOYSA-N
XLogP4.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline?
The IUPAC name of 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline (CID 139935726) is 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline.
What is the SMILES notation for 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline?
The canonical SMILES for 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline is CC1(C)CC=Nc2ccc(-c3cccc(F)c3)cc21.
What is the InChIKey of 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline?
The InChIKey is JEPINUJCDFISIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN/c1-17(2)8-9-19-16-7-6-13(11-15(16)17)12-4-3-5-14(18)10-12/h3-7,9-11H,8H2,1-2H3.
What are the key properties of 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline?
6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline has a molecular weight of 253.32 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-4,4-dimethyl-3H-quinoline is sourced from PubChem (CID 139935726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).