2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline

C17H17ClFN — CID 141315310

IUPAC2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2cc(Cl)ccc2F)Nc2ccccc21
InChIInChI=1S/C17H17ClFN/c1-17(2)10-16(12-9-11(18)7-8-14(12)19)20-15-6-4-3-5-13(15)17/h3-9,16,20H,10H2,1-2H3
InChIKeyIXFRFUDFOGZJOY-UHFFFAOYSA-N
MW289.78 g/mol
LogP5.31
Rot. Bonds1

About 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline

2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline (PubChem CID 141315310) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
PubChem CID141315310
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline
SMILESCC1(C)CC(c2cc(Cl)ccc2F)Nc2ccccc21
InChIInChI=1S/C17H17ClFN/c1-17(2)10-16(12-9-11(18)7-8-14(12)19)20-15-6-4-3-5-13(15)17/h3-9,16,20H,10H2,1-2H3
InChIKeyIXFRFUDFOGZJOY-UHFFFAOYSA-N
XLogP5.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.78
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline (CID 141315310) is 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline is CC1(C)CC(c2cc(Cl)ccc2F)Nc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
The InChIKey is IXFRFUDFOGZJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c1-17(2)10-16(12-9-11(18)7-8-14(12)19)20-15-6-4-3-5-13(15)17/h3-9,16,20H,10H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline?
2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline has a molecular weight of 289.78 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-quinoline is sourced from PubChem (CID 141315310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).