2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H13BrF3NS — CID 115258158

IUPAC2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(CNCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)7-3-4-8(11)16-7/h3-4,15H,5-6H2,1-2H3
InChIKeyVSOIACJUSVNZJJ-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 115258158) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID115258158
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)(CNCC(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)7-3-4-8(11)16-7/h3-4,15H,5-6H2,1-2H3
InChIKeyVSOIACJUSVNZJJ-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 24702964
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 55095464
N-[1-(5-bromothiophen-2-yl)ethyl]-2,2,2-trifluoroethanamine
CID 61000901
N-[(5-bromothiophen-2-yl)methyl]-2,2-difluoroethanamine
CID 61011488
1-(5-bromothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 61102444
1-(5-bromothiophen-2-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 61102636
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)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 61103795
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)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 62603719

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 115258158) is 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)(CNCC(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VSOIACJUSVNZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-9(2,5-15-6-10(12,13)14)7-3-4-8(11)16-7/h3-4,15H,5-6H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(5-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 3.94, 4 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-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 115258158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).