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

C10H13F3INS — CID 105023923

IUPAC5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C10H13F3INS/c1-15-8(3-2-4-10(11,12)13)7-5-9(14)16-6-7/h5-6,8,15H,2-4H2,1H3
InChIKeyZHNRDAZORIZVBW-UHFFFAOYSA-N
MW363.19 g/mol
LogP4.35
Rot. Bonds5

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

5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine (PubChem CID 105023923) has the molecular formula C10H13F3INS and a molecular weight of 363.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine
PubChem CID105023923
Molecular FormulaC10H13F3INS
Molecular Weight363.19 g/mol
Exact Mass362.98
IUPAC Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C10H13F3INS/c1-15-8(3-2-4-10(11,12)13)7-5-9(14)16-6-7/h5-6,8,15H,2-4H2,1H3
InChIKeyZHNRDAZORIZVBW-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 54.35
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-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine (CID 105023923) is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1csc(I)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine?
The InChIKey is ZHNRDAZORIZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3INS/c1-15-8(3-2-4-10(11,12)13)7-5-9(14)16-6-7/h5-6,8,15H,2-4H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine?
5,5,5-trifluoro-1-(5-iodothiophen-3-yl)-N-methylpentan-1-amine has a molecular weight of 363.19 g/mol, XLogP of 4.35, 5 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-methylpentan-1-amine is sourced from PubChem (CID 105023923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).