3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine

C11H13BrF3N — CID 116839684

IUPAC3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrF3N/c1-10(2,6-16)11(14,15)8-5-7(12)3-4-9(8)13/h3-5H,6,16H2,1-2H3
InChIKeyQGZZZXOHVUFXOG-UHFFFAOYSA-N
MW296.13 g/mol
LogP3.66
Rot. Bonds3

About 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine

3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine (PubChem CID 116839684) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
PubChem CID116839684
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrF3N/c1-10(2,6-16)11(14,15)8-5-7(12)3-4-9(8)13/h3-5H,6,16H2,1-2H3
InChIKeyQGZZZXOHVUFXOG-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluorobutan-1-ol
CID 66666062
2-(5-bromo-2-fluorophenyl)-2-methyl-3-phenylpropan-1-amine
CID 117048225
3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 116839617
4-amino-4-(5-bromo-2-fluorophenyl)-2,2-difluoropentan-1-ol
CID 71742847
2-(5-bromo-2-fluorophenyl)-2,2-difluoroethanol
CID 116841188
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
2-(5-bromo-2-fluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048662
(2S,4R)-4-amino-4-(5-bromo-2-fluorophenyl)pentan-2-ol
CID 126754947
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565168

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine (CID 116839684) is 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine is CC(C)(CN)C(F)(F)c1cc(Br)ccc1F.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The InChIKey is QGZZZXOHVUFXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c1-10(2,6-16)11(14,15)8-5-7(12)3-4-9(8)13/h3-5H,6,16H2,1-2H3.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine has a molecular weight of 296.13 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116839684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).