1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine

C10H11BrF3N — CID 43488624

IUPAC1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9,15H,2H2,1H3
InChIKeyWQPYXANMRZNCHX-UHFFFAOYSA-N
MW282.10 g/mol
LogP3.66
Rot. Bonds3

About 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine

1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 43488624) has the molecular formula C10H11BrF3N and a molecular weight of 282.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID43488624
Molecular FormulaC10H11BrF3N
Molecular Weight282.10 g/mol
Exact Mass281.00
IUPAC Name1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9,15H,2H2,1H3
InChIKeyWQPYXANMRZNCHX-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43488631
1-(4-bromophenyl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 63508774
1-(4-ethoxyphenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43489403
1-(3,4-difluorophenyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43491310
N-ethyl-2,2,2-trifluoro-1-(3-fluoro-4-methylphenyl)ethanamine
CID 66205361
1-(6-bromonaphthalen-2-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 115854226
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
N-[1-(4-bromophenyl)ethyl]-2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetamide
CID 86861047
1-(4-bromophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43488677
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
(2S)-2-[[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanoic acid
CID 57446948
1-(3-bromophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62395894

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine (CID 43488624) is 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is WQPYXANMRZNCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N/c1-2-15-9(10(12,13)14)7-3-5-8(11)6-4-7/h3-6,9,15H,2H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine has a molecular weight of 282.10 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 1-(4-bromophenyl)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 43488624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).