1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine

C10H13BrF3NOS — CID 66277360

IUPAC1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C)C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C10H13BrF3NOS/c1-5(15)9(8-3-7(11)4-17-8)16-6(2)10(12,13)14/h3-6,9H,15H2,1-2H3
InChIKeyKWPQCFOFPYGGCI-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine

1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (PubChem CID 66277360) has the molecular formula C10H13BrF3NOS and a molecular weight of 332.19 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
PubChem CID66277360
Molecular FormulaC10H13BrF3NOS
Molecular Weight332.19 g/mol
Exact Mass330.99
IUPAC Name1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C)C(F)(F)F)c1cc(Br)cs1
InChIInChI=1S/C10H13BrF3NOS/c1-5(15)9(8-3-7(11)4-17-8)16-6(2)10(12,13)14/h3-6,9H,15H2,1-2H3
InChIKeyKWPQCFOFPYGGCI-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine (CID 66277360) is 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine is CC(N)C(OC(C)C(F)(F)F)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
The InChIKey is KWPQCFOFPYGGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3NOS/c1-5(15)9(8-3-7(11)4-17-8)16-6(2)10(12,13)14/h3-6,9H,15H2,1-2H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine?
1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine has a molecular weight of 332.19 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)propan-2-amine is sourced from PubChem (CID 66277360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).