N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

C8H8BrF3N2O — CID 155618882

IUPACN-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNC(NO)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,7,14-15H,13H2
InChIKeyITQIOAFBQASASO-UHFFFAOYSA-N
MW285.06 g/mol
LogP2.40
Rot. Bonds2

About N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine

N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (PubChem CID 155618882) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.

Molecular Properties

Compound NameN-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
PubChem CID155618882
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC NameN-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine
SMILESNC(NO)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C8H8BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,7,14-15H,13H2
InChIKeyITQIOAFBQASASO-UHFFFAOYSA-N
XLogP2.40
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-3-(trifluoromethyl)benzylamine
CID 45933703
(4-Bromo-3-methylphenyl)methanamine hydrochloride
CID 23500408
(2-Bromo-5-(trifluoromethyl)phenyl)methanamine
CID 44887024
1-(4-Bromo-3-(trifluoromethyl)phenyl)methanamine hydrochloride
CID 118851021
1-(4-Bromo-2-fluoro-3-methylphenyl)methanamine hydrochloride
CID 146049841
2-[4-Bromo-3-(trifluoromethyl)phenyl]ethan-1-amine hydrochloride
CID 155971043
N-(4-bromo-benzyl)-hydroxylamine
CID 18789540
(2-Bromo-3-methylphenyl)methanamine
CID 18960623
(4-Bromo-3-methylphenyl)methanamine
CID 21756143
3-[2-Bromo-5-(trifluoromethyl)phenyl]propan-1-amine
CID 57419862
N-[(4-bromo-3-fluorophenyl)methyl]hydroxylamine
CID 58343816
(4-Bromo-5-ethyl-2-fluorophenyl)methanamine
CID 58960059

Frequently Asked Questions

What is the IUPAC name of N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The IUPAC name of N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine (CID 155618882) is N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine.
What is the SMILES notation for N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The canonical SMILES for N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is NC(NO)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
The InChIKey is ITQIOAFBQASASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-6-2-1-4(7(13)14-15)3-5(6)8(10,11)12/h1-3,7,14-15H,13H2.
What are the key properties of N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine?
N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine has a molecular weight of 285.06 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[4-bromo-3-(trifluoromethyl)phenyl]methyl]hydroxylamine is sourced from PubChem (CID 155618882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).