1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine

C11H13BrF3N — CID 64565771

IUPAC1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3N/c1-16-10(6-7-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyQKQHRRPSBYAMML-UHFFFAOYSA-N
MW296.13 g/mol
LogP4.05
Rot. Bonds4

About 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine

1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 64565771) has the molecular formula C11H13BrF3N and a molecular weight of 296.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID64565771
Molecular FormulaC11H13BrF3N
Molecular Weight296.13 g/mol
Exact Mass295.02
IUPAC Name1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrF3N/c1-16-10(6-7-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyQKQHRRPSBYAMML-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.13
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
1-(4-bromophenyl)-N,4-dimethylpent-4-en-1-amine
CID 114474094
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(4-bromophenyl)-4-methoxy-N-methylbutan-1-amine
CID 115601640
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-2-(3,3,3-trifluoropropoxy)ethanamine
CID 82960807
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine (CID 64565771) is 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine is CNC(CCC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is QKQHRRPSBYAMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N/c1-16-10(6-7-11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine?
1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 296.13 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 64565771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).