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

C10H10Br2F5NS — CID 43497841

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10Br2F5NS/c1-2-3-18-7(9(13,14)10(15,16)17)5-4-6(11)19-8(5)12/h4,7,18H,2-3H2,1H3
InChIKeyOPHYOHMHQKEAEG-UHFFFAOYSA-N
MW431.06 g/mol
LogP5.51
Rot. Bonds5

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

1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (PubChem CID 43497841) has the molecular formula C10H10Br2F5NS and a molecular weight of 431.06 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
PubChem CID43497841
Molecular FormulaC10H10Br2F5NS
Molecular Weight431.06 g/mol
Exact Mass428.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10Br2F5NS/c1-2-3-18-7(9(13,14)10(15,16)17)5-4-6(11)19-8(5)12/h4,7,18H,2-3H2,1H3
InChIKeyOPHYOHMHQKEAEG-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.06
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 165693229
CID 165693229
CID 43167414
CID 43167414
CID 43248573
CID 43248573
CID 43345043
CID 43345043
CID 43486879
CID 43486879
CID 43486886
CID 43486886
CID 43486982
CID 43486982
CID 43493166
CID 43493166
CID 43493173
CID 43493173
CID 43493219
CID 43493219
CID 43493267
CID 43493267
CID 43497845
CID 43497845

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (CID 43497841) is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is CCCNC(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-propylpropan-1-amine?
The InChIKey is OPHYOHMHQKEAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F5NS/c1-2-3-18-7(9(13,14)10(15,16)17)5-4-6(11)19-8(5)12/h4,7,18H,2-3H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine has a molecular weight of 431.06 g/mol, XLogP of 5.51, 5 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-propylpropan-1-amine is sourced from PubChem (CID 43497841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).