1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

C8H9BrF3NS — CID 61102444

IUPAC1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NS/c1-13-5(4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyWREVBBQUMRLJHZ-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.72
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 61102444) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID61102444
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C8H9BrF3NS/c1-13-5(4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3
InChIKeyWREVBBQUMRLJHZ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
1-(5-Bromothiophen-2-yl)ethan-1-amine
CID 4359396
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
1-[5-(Trifluoromethyl)thiophen-2-yl]ethan-1-amine
CID 55296043
(1R)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412140
(1S)-1-(5-bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 75412141
1-(5-Bromothiophen-2-yl)ethan-1-amine hydrochloride
CID 135377536
2-Bromo-6-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447171
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
(1R)-1-[5-(trifluoromethyl)thiophen-2-yl]propan-1-amine
CID 118931400
1-(4-bromo-3-fluorothiophen-2-yl)-N-propylbut-3-en-1-amine
CID 172563139
N-Methyl-1-thiophen-2-YL-propan-1-amine
CID 238235

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 61102444) is 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is CNC(CC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is WREVBBQUMRLJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-13-5(4-8(10,11)12)6-2-3-7(9)14-6/h2-3,5,13H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 288.13 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 61102444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).