7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

C13H8F8N2O — CID 22278979

IUPAC7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H8F8N2O/c14-11(15,13(19,20)21)5-22-6-1-2-7-8(12(16,17)18)4-10(24)23-9(7)3-6/h1-4,22H,5H2,(H,23,24)
InChIKeyCCLXBKICDYKGFF-UHFFFAOYSA-N
MW360.20 g/mol
LogP4.16
Rot. Bonds3

About 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one

7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 22278979) has the molecular formula C13H8F8N2O and a molecular weight of 360.20 g/mol. Its IUPAC name is 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID22278979
Molecular FormulaC13H8F8N2O
Molecular Weight360.20 g/mol
Exact Mass360.05
IUPAC Name7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)C(F)(F)F)cc2[nH]1
InChIInChI=1S/C13H8F8N2O/c14-11(15,13(19,20)21)5-22-6-1-2-7-8(12(16,17)18)4-10(24)23-9(7)3-6/h1-4,22H,5H2,(H,23,24)
InChIKeyCCLXBKICDYKGFF-UHFFFAOYSA-N
XLogP4.16
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one (CID 22278979) is 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2ccc(NCC(F)(F)C(F)(F)F)cc2[nH]1.
What is the InChIKey of 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is CCLXBKICDYKGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F8N2O/c14-11(15,13(19,20)21)5-22-6-1-2-7-8(12(16,17)18)4-10(24)23-9(7)3-6/h1-4,22H,5H2,(H,23,24).
What are the key properties of 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one?
7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 360.20 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,3,3,3-pentafluoropropylamino)-4-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).