1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C11H15BrF3NOS — CID 66276064

IUPAC1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C11H15BrF3NOS/c1-3-7(16)10(8-4-5-9(12)18-8)17-6(2)11(13,14)15/h4-7,10H,3,16H2,1-2H3
InChIKeyIIVZITRHYCCHSZ-UHFFFAOYSA-N
MW346.21 g/mol
LogP4.26
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66276064) has the molecular formula C11H15BrF3NOS and a molecular weight of 346.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66276064
Molecular FormulaC11H15BrF3NOS
Molecular Weight346.21 g/mol
Exact Mass345.00
IUPAC Name1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCC(N)C(OC(C)C(F)(F)F)c1ccc(Br)s1
InChIInChI=1S/C11H15BrF3NOS/c1-3-7(16)10(8-4-5-9(12)18-8)17-6(2)11(13,14)15/h4-7,10H,3,16H2,1-2H3
InChIKeyIIVZITRHYCCHSZ-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66276064) is 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CCC(N)C(OC(C)C(F)(F)F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is IIVZITRHYCCHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NOS/c1-3-7(16)10(8-4-5-9(12)18-8)17-6(2)11(13,14)15/h4-7,10H,3,16H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 346.21 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66276064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).