1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

C8H9BrF3NS — CID 61104756

IUPAC1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3
InChIKeyFPKYROSXHMWJHF-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.72
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine

1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (PubChem CID 61104756) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
PubChem CID61104756
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
SMILESCCNC(c1ccc(Br)s1)C(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3
InChIKeyFPKYROSXHMWJHF-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

1-[(5-Bromothiophen-2-yl)methyl]piperazine
CID 2455007
[(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
(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
N'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]ethane-1,2-diamine
CID 70458590
1-[(4-Bromo-5-methylthiophen-2-yl)methyl]-3,3-difluoropiperidine;ethane
CID 143819366
N-[1-(4-bromo-3-fluorothiophen-2-yl)ethyl]cyclopropanamine
CID 169245653

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine (CID 61104756) is 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine is CCNC(c1ccc(Br)s1)C(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
The InChIKey is FPKYROSXHMWJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-2-13-7(8(10,11)12)5-3-4-6(9)14-5/h3-4,7,13H,2H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine?
1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine 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)-N-ethyl-2,2,2-trifluoroethanamine is sourced from PubChem (CID 61104756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).