2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine

C8H11BrFNS — CID 105425165

IUPAC2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(Br)s1
InChIInChI=1S/C8H11BrFNS/c1-8(10,5-11-2)6-3-4-7(9)12-6/h3-4,11H,5H2,1-2H3
InChIKeyHHSRRWJSEQFORZ-UHFFFAOYSA-N
MW252.15 g/mol
LogP2.91
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine

2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine (PubChem CID 105425165) has the molecular formula C8H11BrFNS and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine
PubChem CID105425165
Molecular FormulaC8H11BrFNS
Molecular Weight252.15 g/mol
Exact Mass250.98
IUPAC Name2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(Br)s1
InChIInChI=1S/C8H11BrFNS/c1-8(10,5-11-2)6-3-4-7(9)12-6/h3-4,11H,5H2,1-2H3
InChIKeyHHSRRWJSEQFORZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-Bromothiophen-2-yl)methyl](methyl)amine
CID 2449439
2-(5-Bromothiophen-2-yl)ethan-1-amine
CID 4961947
2-(5-Bromothiophen-2-yl)ethylazanium
CID 7023634
[1-(5-Bromothiophen-2-yl)cyclobutyl]methanamine
CID 97727645
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 61000901
1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61102444
1-(5-bromothiophen-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 61103597
1-(5-bromothiophen-2-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 61103792
1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 61104564
1-(5-bromothiophen-2-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 61104756
1-(5-bromothiophen-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 62600355
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601972

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine (CID 105425165) is 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine is CNCC(C)(F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine?
The InChIKey is HHSRRWJSEQFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrFNS/c1-8(10,5-11-2)6-3-4-7(9)12-6/h3-4,11H,5H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine?
2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine has a molecular weight of 252.15 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105425165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).