O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine

C12H12F3N3O2 — CID 154473055

IUPACO-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine
SMILESCCCc1nc2cc(OC(F)(F)F)ccc2nc1ON
InChIInChI=1S/C12H12F3N3O2/c1-2-3-9-11(20-16)18-8-5-4-7(6-10(8)17-9)19-12(13,14)15/h4-6H,2-3,16H2,1H3
InChIKeyNCUKLIQCENDNSD-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.73
Rot. Bonds4

About O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine

O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine (PubChem CID 154473055) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine.

Molecular Properties

Compound NameO-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine
PubChem CID154473055
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC NameO-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine
SMILESCCCc1nc2cc(OC(F)(F)F)ccc2nc1ON
InChIInChI=1S/C12H12F3N3O2/c1-2-3-9-11(20-16)18-8-5-4-7(6-10(8)17-9)19-12(13,14)15/h4-6H,2-3,16H2,1H3
InChIKeyNCUKLIQCENDNSD-UHFFFAOYSA-N
XLogP2.73
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
2-methyl-1-propyl-4-(trifluoromethoxy)benzene
CID 118269891
3-ethyl-6-(trifluoromethoxy)quinoline
CID 163899089
ethyl 2,2-difluoro-2-[6-(trifluoromethoxy)quinoxalin-2-yl]acetate
CID 71143405
1-[2-[difluoro-(4-propylphenyl)methoxy]ethyl]-4-(trifluoromethoxy)benzene
CID 54046364
6-methoxy-2-N,3-N-bis[4-(trifluoromethoxy)phenyl]quinoxaline-2,3-diamine
CID 155541028
1-methyl-5-(trifluoromethoxy)benzimidazol-2-amine
CID 69449777
[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]methanamine
CID 162561361
2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377936
2-[2-chloro-5-(trifluoromethoxy)phenyl]-6-propylpyridine
CID 144912474
2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377916
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992

Frequently Asked Questions

What is the IUPAC name of O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine?
The IUPAC name of O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine (CID 154473055) is O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine.
What is the SMILES notation for O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine?
The canonical SMILES for O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine is CCCc1nc2cc(OC(F)(F)F)ccc2nc1ON.
What is the InChIKey of O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine?
The InChIKey is NCUKLIQCENDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c1-2-3-9-11(20-16)18-8-5-4-7(6-10(8)17-9)19-12(13,14)15/h4-6H,2-3,16H2,1H3.
What are the key properties of O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine?
O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine has a molecular weight of 287.24 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-propyl-6-(trifluoromethoxy)quinoxalin-2-yl]hydroxylamine is sourced from PubChem (CID 154473055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).