1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene

C7H4BrF4NO4 — CID 137418658

IUPAC1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene
SMILESON(O)Oc1c(Br)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C7H4BrF4NO4/c8-3-1-2-4(16-7(10,11)12)5(9)6(3)17-13(14)15/h1-2,14-15H
InChIKeyGTHXSLFZWJKULD-UHFFFAOYSA-N
MW322.01 g/mol
LogP2.86
Rot. Bonds3

About 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene

1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene (PubChem CID 137418658) has the molecular formula C7H4BrF4NO4 and a molecular weight of 322.01 g/mol. Its IUPAC name is 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene
PubChem CID137418658
Molecular FormulaC7H4BrF4NO4
Molecular Weight322.01 g/mol
Exact Mass320.93
IUPAC Name1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene
SMILESON(O)Oc1c(Br)ccc(OC(F)(F)F)c1F
InChIInChI=1S/C7H4BrF4NO4/c8-3-1-2-4(16-7(10,11)12)5(9)6(3)17-13(14)15/h1-2,14-15H
InChIKeyGTHXSLFZWJKULD-UHFFFAOYSA-N
XLogP2.86
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.01
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-fluoro-2-methylsulfanyl-4-(trifluoromethoxy)benzene
CID 171033271
1-bromo-4-[chloro(difluoro)methoxy]-2,3-difluorobenzene
CID 71669494
[[6-bromo-2-fluoro-3-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168531916
1,4-dibromo-2,3-difluoro-5-(trifluoromethoxy)benzene
CID 121228033
2,6-difluoro-3-(trifluoromethoxy)benzenethiol
CID 152502818
1-[4-bromo-3-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 171001252
CID 142516848
CID 142516848
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
1,2-dibromo-3,5-difluoro-4-(trifluoromethoxy)benzene
CID 118841593
2-fluoro-6-[3-fluoro-4-(trifluoromethoxy)-2-(trihydroxymethoxy)phenoxy]-3-(trifluoromethoxy)benzoic acid
CID 142516877
5-bromo-2-fluoro-4-(trifluoromethoxy)phenol
CID 130863182

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene (CID 137418658) is 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene is ON(O)Oc1c(Br)ccc(OC(F)(F)F)c1F.
What is the InChIKey of 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene?
The InChIKey is GTHXSLFZWJKULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF4NO4/c8-3-1-2-4(16-7(10,11)12)5(9)6(3)17-13(14)15/h1-2,14-15H.
What are the key properties of 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene?
1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene has a molecular weight of 322.01 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(dihydroxyamino)oxy-3-fluoro-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 137418658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).