2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine

C10H12BrF2NO — CID 82004824

IUPAC2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNCC(OCC(F)F)c1ccccc1Br
InChIInChI=1S/C10H12BrF2NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeyRZUFWHSGOPNZFV-UHFFFAOYSA-N
MW280.11 g/mol
LogP2.73
Rot. Bonds5

About 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine

2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine (PubChem CID 82004824) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
PubChem CID82004824
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine
SMILESNCC(OCC(F)F)c1ccccc1Br
InChIInChI=1S/C10H12BrF2NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2
InChIKeyRZUFWHSGOPNZFV-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-2-(2-fluorophenyl)ethanamine
CID 82004110
2-(2-bromophenyl)-2-phenylmethoxyethanamine
CID 55022401
2-(2-bromophenyl)-2-(2-ethylhexoxy)ethanamine
CID 55191674
2-(2-bromophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66276282
2-(2-bromophenyl)-2-(2-cyclobutylethoxy)ethanamine
CID 114157313
2-(2-bromophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanamine
CID 112587184
2-(2-bromophenyl)-2-heptoxyethanamine
CID 63459548
2-(2-bromophenyl)-2-(2-fluorophenoxy)ethanamine
CID 55022598
1-bromo-2-[2-bromo-1-(2-methylpropoxy)ethyl]benzene
CID 62112360
2-(2-bromophenyl)-2-(3,5-dimethylphenoxy)ethanamine
CID 55022743
2-(2-bromophenyl)-2-(4-methylphenoxy)ethanamine
CID 55022309
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine?
The IUPAC name of 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine (CID 82004824) is 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine?
The canonical SMILES for 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine is NCC(OCC(F)F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine?
The InChIKey is RZUFWHSGOPNZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c11-8-4-2-1-3-7(8)9(5-14)15-6-10(12)13/h1-4,9-10H,5-6,14H2.
What are the key properties of 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine?
2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine has a molecular weight of 280.11 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-(2,2-difluoroethoxy)ethanamine is sourced from PubChem (CID 82004824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).