N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine

C7H9ClFNS — CID 131224237

IUPACN-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine
SMILESFCCNCc1cscc1Cl
InChIInChI=1S/C7H9ClFNS/c8-7-5-11-4-6(7)3-10-2-1-9/h4-5,10H,1-3H2
InChIKeyZJQILLLVUJIWLG-UHFFFAOYSA-N
MW193.67 g/mol
LogP2.46
Rot. Bonds4

About N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine

N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine (PubChem CID 131224237) has the molecular formula C7H9ClFNS and a molecular weight of 193.67 g/mol. Its IUPAC name is N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine
PubChem CID131224237
Molecular FormulaC7H9ClFNS
Molecular Weight193.67 g/mol
Exact Mass193.01
IUPAC NameN-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine
SMILESFCCNCc1cscc1Cl
InChIInChI=1S/C7H9ClFNS/c8-7-5-11-4-6(7)3-10-2-1-9/h4-5,10H,1-3H2
InChIKeyZJQILLLVUJIWLG-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine?
The IUPAC name of N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine (CID 131224237) is N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine.
What is the SMILES notation for N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine?
The canonical SMILES for N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine is FCCNCc1cscc1Cl.
What is the InChIKey of N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine?
The InChIKey is ZJQILLLVUJIWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFNS/c8-7-5-11-4-6(7)3-10-2-1-9/h4-5,10H,1-3H2.
What are the key properties of N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine?
N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine has a molecular weight of 193.67 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-3-yl)methyl]-2-fluoroethanamine is sourced from PubChem (CID 131224237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).