6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one

C13H11ClF5NO — CID 63107266

IUPAC6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C13H11ClF5NO/c1-20-9-4-2-8(6-7(9)3-5-10(20)21)11(14)12(15,16)13(17,18)19/h2,4,6,11H,3,5H2,1H3
InChIKeyRZYSKWWWRRGUFJ-UHFFFAOYSA-N
MW327.68 g/mol
LogP4.07
Rot. Bonds2

About 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one

6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 63107266) has the molecular formula C13H11ClF5NO and a molecular weight of 327.68 g/mol. Its IUPAC name is 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID63107266
Molecular FormulaC13H11ClF5NO
Molecular Weight327.68 g/mol
Exact Mass327.04
IUPAC Name6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)CCc2cc(C(Cl)C(F)(F)C(F)(F)F)ccc21
InChIInChI=1S/C13H11ClF5NO/c1-20-9-4-2-8(6-7(9)3-5-10(20)21)11(14)12(15,16)13(17,18)19/h2,4,6,11H,3,5H2,1H3
InChIKeyRZYSKWWWRRGUFJ-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.68
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-3,4-dihydroquinolin-2-one
CID 63105598
6-[(4-bromophenyl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63105040
6-(1-bromo-2,2,3,3-tetrafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 79660832
1-methyl-6-[1-(methylamino)ethyl]-3,4-dihydroquinolin-2-one
CID 63105201
6-(1-amino-2-hydroxy-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116942089
6-(1-amino-2-chloroethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 116937542
6-(1-chloropentyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 55177038
6-(1-amino-2-methylpropyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105964
6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63106324
6-(1-hydroxypropan-2-yl)-1-methyl-3,4-dihydroquinolin-2-one
CID 117312785
6-[(5-bromofuran-2-yl)-chloromethyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 63107454
6-[chloro-(3-chlorothiophen-2-yl)methyl]-1-methyl-3,4-dihydroquinolin-2-one
CID 80641053

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one (CID 63107266) is 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)CCc2cc(C(Cl)C(F)(F)C(F)(F)F)ccc21.
What is the InChIKey of 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is RZYSKWWWRRGUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF5NO/c1-20-9-4-2-8(6-7(9)3-5-10(20)21)11(14)12(15,16)13(17,18)19/h2,4,6,11H,3,5H2,1H3.
What are the key properties of 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one?
6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 327.68 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-2,2,3,3,3-pentafluoropropyl)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 63107266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).