3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H13BrF3NS — CID 114899401

IUPAC3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1sccc1Br
InChIInChI=1S/C10H13BrF3NS/c1-7(5-15-6-10(12,13)14)4-9-8(11)2-3-16-9/h2-3,7,15H,4-6H2,1H3
InChIKeyLLZWNEMENUTZPR-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.84
Rot. Bonds5

About 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114899401) has the molecular formula C10H13BrF3NS and a molecular weight of 316.19 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114899401
Molecular FormulaC10H13BrF3NS
Molecular Weight316.19 g/mol
Exact Mass314.99
IUPAC Name3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1sccc1Br
InChIInChI=1S/C10H13BrF3NS/c1-7(5-15-6-10(12,13)14)4-9-8(11)2-3-16-9/h2-3,7,15H,4-6H2,1H3
InChIKeyLLZWNEMENUTZPR-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114899401) is 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Cc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is LLZWNEMENUTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NS/c1-7(5-15-6-10(12,13)14)4-9-8(11)2-3-16-9/h2-3,7,15H,4-6H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 316.19 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114899401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).