2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine

C14H11BrF3N — CID 106943960

IUPAC2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF3N/c15-10-6-7-11(16)12(13(10)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2
InChIKeyLNQXLYFNEPTSPL-UHFFFAOYSA-N
MW330.15 g/mol
LogP3.90
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine

2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine (PubChem CID 106943960) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
PubChem CID106943960
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine
SMILESNCC(F)(c1ccccc1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H11BrF3N/c15-10-6-7-11(16)12(13(10)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2
InChIKeyLNQXLYFNEPTSPL-UHFFFAOYSA-N
XLogP3.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-phenyl-2-(2,3,4-trifluorophenyl)ethanamine
CID 112566344
3-amino-2-(3-bromo-2,6-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 106943453
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
2-(4-tert-butylphenyl)-2-fluoro-2-phenylethanamine
CID 115918107
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)propan-1-amine
CID 106941629
4-(3-bromo-2,6-difluorophenyl)-4-fluoro-5-methoxypentan-1-amine
CID 106943969
1-(3-bromo-2,6-difluorophenyl)-1-(3-bromophenyl)ethanamine
CID 106941571
1-(3-bromo-2,6-difluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 106941565
1-(3-bromo-2,6-difluorophenyl)-1-(3-chlorophenyl)ethanol
CID 106941192
2-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
CID 106273888
3-(3-bromo-2,6-difluorophenyl)-2-methylpentan-3-amine
CID 106941584
2-(3-bromo-2,6-difluorophenyl)-3-methylpentan-2-amine
CID 106941583

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine (CID 106943960) is 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine is NCC(F)(c1ccccc1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine?
The InChIKey is LNQXLYFNEPTSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-10-6-7-11(16)12(13(10)17)14(18,8-19)9-4-2-1-3-5-9/h1-7H,8,19H2.
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine?
2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine has a molecular weight of 330.15 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-2-fluoro-2-phenylethanamine is sourced from PubChem (CID 106943960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).