1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine

C11H15BrF3NS — CID 62603719

IUPAC1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H15BrF3NS/c1-2-5-16-8(7-11(13,14)15)6-9-3-4-10(12)17-9/h3-4,8,16H,2,5-7H2,1H3
InChIKeyMWYRVFKJTVUHQA-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.37
Rot. Bonds6

About 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine

1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 62603719) has the molecular formula C11H15BrF3NS and a molecular weight of 330.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID62603719
Molecular FormulaC11H15BrF3NS
Molecular Weight330.21 g/mol
Exact Mass329.01
IUPAC Name1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1ccc(Br)s1)CC(F)(F)F
InChIInChI=1S/C11H15BrF3NS/c1-2-5-16-8(7-11(13,14)15)6-9-3-4-10(12)17-9/h3-4,8,16H,2,5-7H2,1H3
InChIKeyMWYRVFKJTVUHQA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine (CID 62603719) is 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(Cc1ccc(Br)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is MWYRVFKJTVUHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF3NS/c1-2-5-16-8(7-11(13,14)15)6-9-3-4-10(12)17-9/h3-4,8,16H,2,5-7H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine?
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 330.21 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 62603719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).