1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine

C8H9BrF3NS — CID 65279327

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(Br)c(C(N)CC(F)(F)F)s1
InChIInChI=1S/C8H9BrF3NS/c1-4-2-5(9)7(14-4)6(13)3-8(10,11)12/h2,6H,3,13H2,1H3
InChIKeyZIZIZLDBJJKRPP-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.77
Rot. Bonds2

About 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine

1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 65279327) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID65279327
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(Br)c(C(N)CC(F)(F)F)s1
InChIInChI=1S/C8H9BrF3NS/c1-4-2-5(9)7(14-4)6(13)3-8(10,11)12/h2,6H,3,13H2,1H3
InChIKeyZIZIZLDBJJKRPP-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(3-bromo-5-methylthiophen-2-yl)-3,3-dimethylpentanoic acid
CID 65278580
1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
N-[1-(3-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 65278628
1-(3-bromo-5-methylthiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 65279617
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(3-bromo-5-methylthiophen-2-yl)-(4-tert-butylphenyl)methanamine
CID 65279555
methyl 5-amino-5-(3-bromo-5-methylthiophen-2-yl)-3-methylpentanoate
CID 65278316
1-(3-bromo-5-methylthiophen-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 65279659
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine (CID 65279327) is 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine is Cc1cc(Br)c(C(N)CC(F)(F)F)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZIZIZLDBJJKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-4-2-5(9)7(14-4)6(13)3-8(10,11)12/h2,6H,3,13H2,1H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 288.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 65279327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).