2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine

About 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine

2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine (PubChem CID 161414092) has the molecular formula C66H84F4N4O8 and a molecular weight of 1137.41 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine.

Molecular Properties

Compound Name	2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
PubChem CID	161414092
Molecular Formula	C66H84F4N4O8
Molecular Weight	1137.41 g/mol
Exact Mass	1136.62
IUPAC Name	2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine
SMILES	CC(C)Cc1ccc2c(c1)N(C)C(=O)CC2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)CC2.CC(C)Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2
InChI	InChI=1S/C14H19NO2.C14H19NO.C13H17NO2.C13H17NO.C12H12F4O2/c1-9(2)7-10-5-6-12-11(8-10)15-13(16)14(3,4)17-12;1-10(2)8-11-4-5-12-6-7-14(16)15(3)13(12)9-11;1-8(2)6-10-4-5-12-11(7-10)14-13(15)9(3)16-12;1-9(2)7-10-3-4-11-5-6-13(15)14-12(11)8-10;1-7(2)5-8-3-4-9-10(6-8)18-12(15,16)11(13,14)17-9/h5-6,8-9H,7H2,1-4H3,(H,15,16);4-5,9-10H,6-8H2,1-3H3;4-5,7-9H,6H2,1-3H3,(H,14,15);3-4,8-9H,5-7H2,1-2H3,(H,14,15);3-4,6-7H,5H2,1-2H3
InChIKey	VVVRSYIQVIUZJO-UHFFFAOYSA-N
XLogP	15.00
TPSA	144.53 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	10
Heavy Atoms	82
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1137.41
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The IUPAC name of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine (CID 161414092) is 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine.

What is the SMILES notation for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The canonical SMILES for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine is CC(C)Cc1ccc2c(c1)N(C)C(=O)CC2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)C(C)O2.CC(C)Cc1ccc2c(c1)NC(=O)CC2.CC(C)Cc1ccc2c(c1)OC(F)(F)C(F)(F)O2.

What is the InChIKey of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

The InChIKey is VVVRSYIQVIUZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.C14H19NO.C13H17NO2.C13H17NO.C12H12F4O2/c1-9(2)7-10-5-6-12-11(8-10)15-13(16)14(3,4)17-12;1-10(2)8-11-4-5-12-6-7-14(16)15(3)13(12)9-11;1-8(2)6-10-4-5-12-11(7-10)14-13(15)9(3)16-12;1-9(2)7-10-3-4-11-5-6-13(15)14-12(11)8-10;1-7(2)5-8-3-4-9-10(6-8)18-12(15,16)11(13,14)17-9/h5-6,8-9H,7H2,1-4H3,(H,15,16);4-5,9-10H,6-8H2,1-3H3;4-5,7-9H,6H2,1-3H3,(H,14,15);3-4,8-9H,5-7H2,1-2H3,(H,14,15);3-4,6-7H,5H2,1-2H3.

What are the key properties of 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine?

Where does this data come from?

All data for 2,2-dimethyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;2-methyl-6-(2-methylpropyl)-4H-1,4-benzoxazin-3-one;1-methyl-7-(2-methylpropyl)-3,4-dihydroquinolin-2-one;7-(2-methylpropyl)-3,4-dihydro-1H-quinolin-2-one;2,2,3,3-tetrafluoro-6-(2-methylpropyl)-1,4-benzodioxine is sourced from PubChem (CID 161414092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).