N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

C8H9BrF3NS — CID 60733402

IUPACN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3
InChIKeyPBNOMYVIQFOLCT-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.50
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 60733402) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID60733402
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCN(Cc1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C8H9BrF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3
InChIKeyPBNOMYVIQFOLCT-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Bromothiophen-2-yl)methyl]-4-methylpiperazine
CID 677217
N-[(4-bromo-2-thienyl)methyl]-N,N',N'-trimethyl-1,2-ethanediamine
CID 30326957
[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
N-[(4-bromothiophen-2-yl)methyl]-N-methylprop-2-yn-1-amine
CID 60968971
2-Thenylamine, N,N-bis(2-bromoethyl)-5-methyl-
CID 147005
((5-Bromothiophen-2-yl)methyl)dimethylamine hydrochloride
CID 165909263
1-((5-Bromothiophen-2-yl)methyl)-4-ethylpiperazine
CID 763267
Cambridge id 5265129
CID 764240
2-Thenylamine, N,N-bis(2-bromoethyl)-5-methyl-, hydrobromide
CID 203608
1-[(4-Bromo-5-propan-2-ylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 58115729
1-(5-bromothiophen-2-yl)-N,N-dimethylmethanamine
CID 59332723
1-[(4-Bromo-5-ethylthiophen-2-yl)methyl]-3,3-difluoropiperidine
CID 70803730

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 60733402) is N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is CN(Cc1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is PBNOMYVIQFOLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-13(5-8(10,11)12)4-6-2-3-7(9)14-6/h2-3H,4-5H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 288.13 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 60733402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).