N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine

C7H5BrF3NO — CID 117111115

IUPACN-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)c(Br)c(F)c1F
InChIInChI=1S/C7H5BrF3NO/c8-5-4(9)1-3(2-12-13)6(10)7(5)11/h1,12-13H,2H2
InChIKeyMVDBOQDACJPXPZ-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.35
Rot. Bonds2

About N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine

N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine (PubChem CID 117111115) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
PubChem CID117111115
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC NameN-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
SMILESONCc1cc(F)c(Br)c(F)c1F
InChIInChI=1S/C7H5BrF3NO/c8-5-4(9)1-3(2-12-13)6(10)7(5)11/h1,12-13H,2H2
InChIKeyMVDBOQDACJPXPZ-UHFFFAOYSA-N
XLogP2.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2,3,5-trifluorophenyl)propan-2-ol
CID 117114546
N-[(5-bromo-2-fluoro-3-methylphenyl)methyl]hydroxylamine
CID 84796697
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
N-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117414277
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
CID 84780927
N-[(3-bromo-4-fluorophenyl)methyl]hydroxylamine
CID 82686499
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
2,4-dibromo-1-ethyl-3,5-difluorobenzene
CID 118836031
(2-bromo-3,4,5-trifluorophenyl)methanol
CID 89016097
N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
CID 117311837
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine (CID 117111115) is N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine is ONCc1cc(F)c(Br)c(F)c1F.
What is the InChIKey of N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine?
The InChIKey is MVDBOQDACJPXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c8-5-4(9)1-3(2-12-13)6(10)7(5)11/h1,12-13H,2H2.
What are the key properties of N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine?
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine has a molecular weight of 256.02 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine is sourced from PubChem (CID 117111115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).