1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

C10H10BrClF5NS — CID 80531425

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10BrClF5NS/c1-2-3-18-7(9(13,14)10(15,16)17)6-4-5(12)8(11)19-6/h4,7,18H,2-3H2,1H3
InChIKeyTWNGUAJRKOLSBX-UHFFFAOYSA-N
MW386.61 g/mol
LogP5.40
Rot. Bonds5

About 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (PubChem CID 80531425) has the molecular formula C10H10BrClF5NS and a molecular weight of 386.61 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
PubChem CID80531425
Molecular FormulaC10H10BrClF5NS
Molecular Weight386.61 g/mol
Exact Mass384.93
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
SMILESCCCNC(c1cc(Cl)c(Br)s1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10BrClF5NS/c1-2-3-18-7(9(13,14)10(15,16)17)6-4-5(12)8(11)19-6/h4,7,18H,2-3H2,1H3
InChIKeyTWNGUAJRKOLSBX-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.61
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine (CID 80531425) is 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is CCCNC(c1cc(Cl)c(Br)s1)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
The InChIKey is TWNGUAJRKOLSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClF5NS/c1-2-3-18-7(9(13,14)10(15,16)17)6-4-5(12)8(11)19-6/h4,7,18H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine has a molecular weight of 386.61 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine is sourced from PubChem (CID 80531425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).