5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine

C12H17F3INS — CID 105024063

IUPAC5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C12H17F3INS/c1-2-6-17-10(4-3-5-12(13,14)15)9-7-11(16)18-8-9/h7-8,10,17H,2-6H2,1H3
InChIKeyNVGORGJRZBFXMA-UHFFFAOYSA-N
MW391.24 g/mol
LogP5.13
Rot. Bonds7

About 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine

5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine (PubChem CID 105024063) has the molecular formula C12H17F3INS and a molecular weight of 391.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine
PubChem CID105024063
Molecular FormulaC12H17F3INS
Molecular Weight391.24 g/mol
Exact Mass391.01
IUPAC Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine
SMILESCCCNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C12H17F3INS/c1-2-6-17-10(4-3-5-12(13,14)15)9-7-11(16)18-8-9/h7-8,10,17H,2-6H2,1H3
InChIKeyNVGORGJRZBFXMA-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.24
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine (CID 105024063) is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine is CCCNC(CCCC(F)(F)F)c1csc(I)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine?
The InChIKey is NVGORGJRZBFXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3INS/c1-2-6-17-10(4-3-5-12(13,14)15)9-7-11(16)18-8-9/h7-8,10,17H,2-6H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine?
5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine has a molecular weight of 391.24 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105024063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).