N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide

C8H6F3N3O5-2 — CID 163147693

IUPACN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(N([O-])[O-])cc1N(O)O)C(F)(F)F
InChIInChI=1S/C8H6F3N3O5/c9-8(10,11)7(15)12-5-2-1-4(13(16)17)3-6(5)14(18)19/h1-3,18-19H,(H,12,15)/q-2
InChIKeyVNKXIXLNVWPIJK-UHFFFAOYSA-N
MW281.15 g/mol
LogP1.57
Rot. Bonds3

About N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide

N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 163147693) has the molecular formula C8H6F3N3O5-2 and a molecular weight of 281.15 g/mol. Its IUPAC name is N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
PubChem CID163147693
Molecular FormulaC8H6F3N3O5-2
Molecular Weight281.15 g/mol
Exact Mass281.03
IUPAC NameN-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(N([O-])[O-])cc1N(O)O)C(F)(F)F
InChIInChI=1S/C8H6F3N3O5/c9-8(10,11)7(15)12-5-2-1-4(13(16)17)3-6(5)14(18)19/h1-3,18-19H,(H,12,15)/q-2
InChIKeyVNKXIXLNVWPIJK-UHFFFAOYSA-N
XLogP1.57
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanamide
CID 163154528
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2,2-trifluoroacetamide
CID 163133531
(4E)-4-[[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
CID 20834114
N-[2-(dihydroxyamino)-4-(dioxidoamino)anilino]-N'-(2-oxopropyl)ethanimidamide
CID 21157423
N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-2,2-bis(trifluoromethyl)butanamide
CID 163183109
4-chloro-3-N,3-N-dihydroxy-1-N,1-N-dioxidobenzene-1,3-diamine
CID 163164042
N-(4-ethoxy-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 5060247
2-N,2-N-dihydroxy-1-N-(2-methylprop-2-enylideneamino)-4-N,4-N-dioxidobenzene-1,2,4-triamine
CID 163172164
2-bromo-N-[4-chloro-2-[hydroxy(oxido)amino]phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 163149607
2,2,2-trifluoro-N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide
CID 18543314
2,2,2-trifluoro-N-(2-nitro-4-propoxyphenyl)acetamide
CID 110493042
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 15953168

Frequently Asked Questions

What is the IUPAC name of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide (CID 163147693) is N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(N([O-])[O-])cc1N(O)O)C(F)(F)F.
What is the InChIKey of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is VNKXIXLNVWPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O5/c9-8(10,11)7(15)12-5-2-1-4(13(16)17)3-6(5)14(18)19/h1-3,18-19H,(H,12,15)/q-2.
What are the key properties of N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide?
N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 281.15 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 163147693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).