1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine

C8H9BrF3NS — CID 79990885

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(C(N)CC(F)(F)F)sc1Br
InChIInChI=1S/C8H9BrF3NS/c1-4-2-6(14-7(4)9)5(13)3-8(10,11)12/h2,5H,3,13H2,1H3
InChIKeyLMWHXXZFPZJIGS-UHFFFAOYSA-N
MW288.13 g/mol
LogP3.77
Rot. Bonds2

About 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 79990885) has the molecular formula C8H9BrF3NS and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID79990885
Molecular FormulaC8H9BrF3NS
Molecular Weight288.13 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
SMILESCc1cc(C(N)CC(F)(F)F)sc1Br
InChIInChI=1S/C8H9BrF3NS/c1-4-2-6(14-7(4)9)5(13)3-8(10,11)12/h2,5H,3,13H2,1H3
InChIKeyLMWHXXZFPZJIGS-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

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
CID 171313610
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
ethyl 4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanoate
CID 79991140
2-bromo-5-(1-bromo-4,4,4-trifluorobutyl)-3-methylthiophene
CID 79991805
ethyl 5-amino-5-(5-bromo-4-methylthiophen-2-yl)-3,3-dimethylpentanoate
CID 79991353
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
[1-(5-bromo-4-methylthiophen-2-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105313942
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine (CID 79990885) is 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine is Cc1cc(C(N)CC(F)(F)F)sc1Br.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is LMWHXXZFPZJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF3NS/c1-4-2-6(14-7(4)9)5(13)3-8(10,11)12/h2,5H,3,13H2,1H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine?
1-(5-bromo-4-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-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79990885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).