N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

C12H13F4N3O — CID 106293073

IUPACN-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc2c(c1)NCCN2
InChIInChI=1S/C12H13F4N3O/c13-11(14)12(15,16)6-19-10(20)7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5,11,17-18H,3-4,6H2,(H,19,20)
InChIKeyLUQASNMKQKIMIT-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.15
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (PubChem CID 106293073) has the molecular formula C12H13F4N3O and a molecular weight of 291.25 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
PubChem CID106293073
Molecular FormulaC12H13F4N3O
Molecular Weight291.25 g/mol
Exact Mass291.10
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1ccc2c(c1)NCCN2
InChIInChI=1S/C12H13F4N3O/c13-11(14)12(15,16)6-19-10(20)7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5,11,17-18H,3-4,6H2,(H,19,20)
InChIKeyLUQASNMKQKIMIT-UHFFFAOYSA-N
XLogP2.15
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614366
N-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614609
2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)ethyl carbamate
CID 104615254
3-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289370
2-fluoro-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295727
N-(3,3-dimethylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104828504
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614869
3-amino-4-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295547
4-chloro-3-nitro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103577982
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614845
N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614576

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide (CID 106293073) is N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is O=C(NCC(F)(F)C(F)F)c1ccc2c(c1)NCCN2.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
The InChIKey is LUQASNMKQKIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N3O/c13-11(14)12(15,16)6-19-10(20)7-1-2-8-9(5-7)18-4-3-17-8/h1-2,5,11,17-18H,3-4,6H2,(H,19,20).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide has a molecular weight of 291.25 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide is sourced from PubChem (CID 106293073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).