(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine

C8H9ClFNS — CID 25014176

IUPAC(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1csc(Cl)c1
InChIInChI=1S/C8H9ClFNS/c9-8-2-6(5-12-8)1-7(3-10)4-11/h2-3,5H,1,4,11H2/b7-3+
InChIKeyJEMRUAKCZVXDPS-XVNBXDOJSA-N
MW205.69 g/mol
LogP2.76
Rot. Bonds3

About (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine

(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 25014176) has the molecular formula C8H9ClFNS and a molecular weight of 205.69 g/mol. Its IUPAC name is (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID25014176
Molecular FormulaC8H9ClFNS
Molecular Weight205.69 g/mol
Exact Mass205.01
IUPAC Name(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNC/C(=C/F)Cc1csc(Cl)c1
InChIInChI=1S/C8H9ClFNS/c9-8-2-6(5-12-8)1-7(3-10)4-11/h2-3,5H,1,4,11H2/b7-3+
InChIKeyJEMRUAKCZVXDPS-XVNBXDOJSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-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 (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine (CID 25014176) is (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine is NC/C(=C/F)Cc1csc(Cl)c1.
What is the InChIKey of (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is JEMRUAKCZVXDPS-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H9ClFNS/c9-8-2-6(5-12-8)1-7(3-10)4-11/h2-3,5H,1,4,11H2/b7-3+.
What are the key properties of (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
(E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine has a molecular weight of 205.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 25014176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).