1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine

C9H9BrF3NO — CID 82712089

IUPAC1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF3NO/c10-8-3-1-7(2-4-8)5-14-15-6-9(11,12)13/h1-4,14H,5-6H2
InChIKeyKNDMPUIMYMUGTR-UHFFFAOYSA-N
MW284.08 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82712089) has the molecular formula C9H9BrF3NO and a molecular weight of 284.08 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82712089
Molecular FormulaC9H9BrF3NO
Molecular Weight284.08 g/mol
Exact Mass282.98
IUPAC Name1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESFC(F)(F)CONCc1ccc(Br)cc1
InChIInChI=1S/C9H9BrF3NO/c10-8-3-1-7(2-4-8)5-14-15-6-9(11,12)13/h1-4,14H,5-6H2
InChIKeyKNDMPUIMYMUGTR-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.08
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylsulfanylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712799
1-(4-cyclopropylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711741
4-[(2,2,2-trifluoroethoxyamino)methyl]benzoic acid
CID 82711773
1-(3-bromo-5-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82723093
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671
1-(6-methyl-3-pyridinyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 104822060
1-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712652
1-(2-bromo-3-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82722991
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-(2,3,6-trichlorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711097
1-thiophen-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711207
3-[(2,2,2-trifluoroethoxyamino)methyl]benzamide
CID 82710794

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82712089) is 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine is FC(F)(F)CONCc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is KNDMPUIMYMUGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NO/c10-8-3-1-7(2-4-8)5-14-15-6-9(11,12)13/h1-4,14H,5-6H2.
What are the key properties of 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 284.08 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82712089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).