5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine

C9H11F3INS — CID 105024330

IUPAC5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C9H11F3INS/c10-9(11,12)3-1-2-7(14)6-4-8(13)15-5-6/h4-5,7H,1-3,14H2
InChIKeyUHNMSBGHHRFPTK-UHFFFAOYSA-N
MW349.16 g/mol
LogP4.09
Rot. Bonds4

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

5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine (PubChem CID 105024330) has the molecular formula C9H11F3INS and a molecular weight of 349.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine
PubChem CID105024330
Molecular FormulaC9H11F3INS
Molecular Weight349.16 g/mol
Exact Mass348.96
IUPAC Name5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1csc(I)c1
InChIInChI=1S/C9H11F3INS/c10-9(11,12)3-1-2-7(14)6-4-8(13)15-5-6/h4-5,7H,1-3,14H2
InChIKeyUHNMSBGHHRFPTK-UHFFFAOYSA-N
XLogP4.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 54.09
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)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine (CID 105024330) is 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine is NC(CCCC(F)(F)F)c1csc(I)c1.
What is the InChIKey of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine?
The InChIKey is UHNMSBGHHRFPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3INS/c10-9(11,12)3-1-2-7(14)6-4-8(13)15-5-6/h4-5,7H,1-3,14H2.
What are the key properties of 5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine?
5,5,5-trifluoro-1-(5-iodothiophen-3-yl)pentan-1-amine has a molecular weight of 349.16 g/mol, XLogP of 4.09, 4 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)pentan-1-amine is sourced from PubChem (CID 105024330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).