1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine

C10H11BrF3N — CID 116839454

IUPAC1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrF3N/c1-9(2,15)10(13,14)7-5-6(11)3-4-8(7)12/h3-5H,15H2,1-2H3
InChIKeyTUKNAWZLQQBPKN-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.42
Rot. Bonds2

About 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine

1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839454) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839454
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C10H11BrF3N/c1-9(2,15)10(13,14)7-5-6(11)3-4-8(7)12/h3-5H,15H2,1-2H3
InChIKeyTUKNAWZLQQBPKN-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
CID 116845964
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
1-(4-bromophenyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 55116362

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839454) is 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine is CC(C)(N)C(F)(F)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is TUKNAWZLQQBPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-9(2,15)10(13,14)7-5-6(11)3-4-8(7)12/h3-5H,15H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine?
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 282.10 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).