1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine

C10H10BrF6NS — CID 103311834

IUPAC1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10BrF6NS/c1-18-6(4-5-2-3-7(11)19-5)8(9(12,13)14)10(15,16)17/h2-3,6,8,18H,4H2,1H3
InChIKeyCAUXRQIDZDBGDB-UHFFFAOYSA-N
MW370.16 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine

1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311834) has the molecular formula C10H10BrF6NS and a molecular weight of 370.16 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
PubChem CID103311834
Molecular FormulaC10H10BrF6NS
Molecular Weight370.16 g/mol
Exact Mass368.96
IUPAC Name1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10BrF6NS/c1-18-6(4-5-2-3-7(11)19-5)8(9(12,13)14)10(15,16)17/h2-3,6,8,18H,4H2,1H3
InChIKeyCAUXRQIDZDBGDB-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.16
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516504
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115841034
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine (CID 103311834) is 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine is CNC(Cc1ccc(Br)s1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is CAUXRQIDZDBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF6NS/c1-18-6(4-5-2-3-7(11)19-5)8(9(12,13)14)10(15,16)17/h2-3,6,8,18H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine?
1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 370.16 g/mol, XLogP of 4.38, 4 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-methyl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).