1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine

C7H7BrF3NS — CID 79016591

IUPAC1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1sccc1Br)C(F)(F)F
InChIInChI=1S/C7H7BrF3NS/c1-12-6(7(9,10)11)5-4(8)2-3-13-5/h2-3,6,12H,1H3
InChIKeyYEMLOXMRQNFBMP-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.33
Rot. Bonds2

About 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine

1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine (PubChem CID 79016591) has the molecular formula C7H7BrF3NS and a molecular weight of 274.10 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
PubChem CID79016591
Molecular FormulaC7H7BrF3NS
Molecular Weight274.10 g/mol
Exact Mass272.94
IUPAC Name1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
SMILESCNC(c1sccc1Br)C(F)(F)F
InChIInChI=1S/C7H7BrF3NS/c1-12-6(7(9,10)11)5-4(8)2-3-13-5/h2-3,6,12H,1H3
InChIKeyYEMLOXMRQNFBMP-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-bromothiophen-2-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215838
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxy-N-methylbutan-1-amine
CID 116760824
1-(3-bromothiophen-2-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023831
1-(3-bromothiophen-2-yl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 80535785
1-(3-bromothiophen-2-yl)-1-hydrazinyl-N,N,2-trimethylpropan-2-amine
CID 105239110
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
[1-(3-bromothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 105206154
3-bromo-2-(1-bromo-4,4,4-trifluorobutyl)thiophene
CID 80536907
3-bromo-2-(1-chloro-2,2,3,3-tetrafluoropropyl)thiophene
CID 80537320

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine (CID 79016591) is 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine is CNC(c1sccc1Br)C(F)(F)F.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is YEMLOXMRQNFBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3NS/c1-12-6(7(9,10)11)5-4(8)2-3-13-5/h2-3,6,12H,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine?
1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 274.10 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 79016591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).