1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C8H6Br2F5NS — CID 43486879

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6Br2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3
InChIKeyXLVXEMFVUSKKOV-UHFFFAOYSA-N
MW403.01 g/mol
LogP4.73
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 43486879) has the molecular formula C8H6Br2F5NS and a molecular weight of 403.01 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID43486879
Molecular FormulaC8H6Br2F5NS
Molecular Weight403.01 g/mol
Exact Mass400.85
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H6Br2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3
InChIKeyXLVXEMFVUSKKOV-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.01
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine with MolForge

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Related Compounds

1-(2,5-Dibromothiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43167414
1-(2,5-Dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 43248573
1-(2,5-Dibromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 43345043
1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 43486886
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 43486982
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 43493166
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2,2,2-trifluoroethanamine
CID 43493173
1-(2,5-dibromothiophen-3-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43493267
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 43497841
N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 43497845
1-(2,5-dibromothiophen-3-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 43497924
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607986

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 43486879) is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is XLVXEMFVUSKKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2F5NS/c1-16-5(7(11,12)8(13,14)15)3-2-4(9)17-6(3)10/h2,5,16H,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 403.01 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43486879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).