3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine

C10H12BrF2N — CID 112565168

IUPAC3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-10(13,6-14)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,14H2,1H3
InChIKeyJKAOFVNJMQDLGC-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.82
Rot. Bonds3

About 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine

3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine (PubChem CID 112565168) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
PubChem CID112565168
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine
SMILESCC(F)(CN)Cc1ccc(Br)cc1F
InChIInChI=1S/C10H12BrF2N/c1-10(13,6-14)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,14H2,1H3
InChIKeyJKAOFVNJMQDLGC-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-methylphenyl)-2-fluoro-2-methylpropan-1-amine
CID 130655700
2-[(4-bromo-2-fluorophenyl)methyl]-2-methylpentan-1-amine
CID 62723295
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
1-(4-bromo-2-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 55187150
1-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-amine
CID 55096347
1-(4-bromo-2-fluorophenyl)-4-methoxy-2-methylbutan-2-amine
CID 62621665
4-bromo-1-(4-chloro-2,2-dimethylpentyl)-2-fluorobenzene
CID 64718322
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669
N'-[(4-bromo-2-fluorophenyl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660769
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
3-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-2-one
CID 116560259

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine (CID 112565168) is 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine is CC(F)(CN)Cc1ccc(Br)cc1F.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine?
The InChIKey is JKAOFVNJMQDLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-10(13,6-14)5-7-2-3-8(11)4-9(7)12/h2-4H,5-6,14H2,1H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine?
3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine has a molecular weight of 264.11 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 112565168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).