1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine

C7H4Br2F5NS — CID 43248573

IUPAC1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4Br2F5NS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4H,15H2
InChIKeyADJZDFGNSHENBD-UHFFFAOYSA-N
MW388.98 g/mol
LogP4.47
Rot. Bonds2

About 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine

1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 43248573) has the molecular formula C7H4Br2F5NS and a molecular weight of 388.98 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID43248573
Molecular FormulaC7H4Br2F5NS
Molecular Weight388.98 g/mol
Exact Mass386.84
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESNC(c1cc(Br)sc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H4Br2F5NS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4H,15H2
InChIKeyADJZDFGNSHENBD-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 43248573) is 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine is NC(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-pentafluoropropan-1-amine?
The InChIKey is ADJZDFGNSHENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F5NS/c8-3-1-2(5(9)16-3)4(15)6(10,11)7(12,13)14/h1,4H,15H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine?
1-(2,5-dibromothiophen-3-yl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 388.98 g/mol, XLogP of 4.47, 2 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-pentafluoropropan-1-amine is sourced from PubChem (CID 43248573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).