5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

C12H14F4N2O — CID 106290057

IUPAC5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(F)(F)C(F)F
InChIInChI=1S/C12H14F4N2O/c13-11(14)12(15,16)6-17-8-2-1-3-9-7(8)4-5-10(19)18-9/h4-5,8,11,17H,1-3,6H2,(H,18,19)
InChIKeyWDFXKNWSNYTNIP-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.24
Rot. Bonds4

About 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 106290057) has the molecular formula C12H14F4N2O and a molecular weight of 278.25 g/mol. Its IUPAC name is 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID106290057
Molecular FormulaC12H14F4N2O
Molecular Weight278.25 g/mol
Exact Mass278.10
IUPAC Name5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESO=c1ccc2c([nH]1)CCCC2NCC(F)(F)C(F)F
InChIInChI=1S/C12H14F4N2O/c13-11(14)12(15,16)6-17-8-2-1-3-9-7(8)4-5-10(19)18-9/h4-5,8,11,17H,1-3,6H2,(H,18,19)
InChIKeyWDFXKNWSNYTNIP-UHFFFAOYSA-N
XLogP2.24
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-amino-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 5148061
5-(Butylamino)-5,6,7,8-tetrahydro-2(1H)-quinolinone
CID 10656568
5-Amino-1-methyl-1,2,5,6,7,8-hexahydroquinolin-2-one
CID 81105195
6-Amino-1-ethyl-5,6,7,8-tetrahydroquinolin-2(1H)-one
CID 84618285
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 118744521
5-Amino-1,2,5,6,7,8-hexahydroquinolin-2-one hydrochloride
CID 16238630
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-2H-isoquinolin-3-one
CID 14114910
6-(propan-2-ylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118744520
4-(trifluoromethyl)-5,5a,6,7,8,9-hexahydro-1H-pyrido[2,3-g]quinolin-2-one
CID 69330190
5-Amino-4-(trifluoromethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 129078756
5-(methylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504598
5-(2-methylpropylamino)-4-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 156504691

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 106290057) is 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is O=c1ccc2c([nH]1)CCCC2NCC(F)(F)C(F)F.
What is the InChIKey of 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is WDFXKNWSNYTNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O/c13-11(14)12(15,16)6-17-8-2-1-3-9-7(8)4-5-10(19)18-9/h4-5,8,11,17H,1-3,6H2,(H,18,19).
What are the key properties of 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 278.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetrafluoropropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 106290057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).