3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine

C8H10BrF2NS — CID 103516504

IUPAC3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(F)F
InChIInChI=1S/C8H10BrF2NS/c1-12-6(8(10)11)4-5-2-3-7(9)13-5/h2-3,6,8,12H,4H2,1H3
InChIKeyFQQMDIGKDHDBBD-UHFFFAOYSA-N
MW270.14 g/mol
LogP2.91
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine

3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516504) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516504
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC Name3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(Br)s1)C(F)F
InChIInChI=1S/C8H10BrF2NS/c1-12-6(8(10)11)4-5-2-3-7(9)13-5/h2-3,6,8,12H,4H2,1H3
InChIKeyFQQMDIGKDHDBBD-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311834
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
1-(5-bromothiophen-2-yl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65132170
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(5-bromothiophen-2-yl)-N-methylpent-4-en-2-amine
CID 116660483
1-(4-bromophenyl)-3-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602232
2-(5-bromothiophen-2-yl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 65419540
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
[1-(5-bromothiophen-2-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105202918
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516504) is 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccc(Br)s1)C(F)F.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is FQQMDIGKDHDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-12-6(8(10)11)4-5-2-3-7(9)13-5/h2-3,6,8,12H,4H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine?
3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 270.14 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).