4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one

C12H8F7NO — CID 15366447

IUPAC4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1
InChIInChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)7-5-9(21)20-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,20,21)
InChIKeyJTCAJIYIBMQACM-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.95
Rot. Bonds2

About 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one

4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 15366447) has the molecular formula C12H8F7NO and a molecular weight of 315.19 g/mol. Its IUPAC name is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID15366447
Molecular FormulaC12H8F7NO
Molecular Weight315.19 g/mol
Exact Mass315.05
IUPAC Name4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CC(C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1
InChIInChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)7-5-9(21)20-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,20,21)
InChIKeyJTCAJIYIBMQACM-UHFFFAOYSA-N
XLogP3.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one (CID 15366447) is 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CC(C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2N1.
What is the InChIKey of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JTCAJIYIBMQACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F7NO/c13-10(14,11(15,16)12(17,18)19)7-5-9(21)20-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,20,21).
What are the key properties of 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one?
4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 315.19 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,2,3,3,3-heptafluoropropyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 15366447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).