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

C8H9ClFNS — CID 66982442

IUPAC2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNCC(=CF)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
InChIKeyJEMRUAKCZVXDPS-UHFFFAOYSA-N
MW205.69 g/mol
LogP2.76
Rot. Bonds3

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

2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine (PubChem CID 66982442) has the molecular formula C8H9ClFNS and a molecular weight of 205.69 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
PubChem CID66982442
Molecular FormulaC8H9ClFNS
Molecular Weight205.69 g/mol
Exact Mass205.01
IUPAC Name2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine
SMILESNCC(=CF)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
InChIKeyJEMRUAKCZVXDPS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The IUPAC name of 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine (CID 66982442) is 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine.
What is the SMILES notation for 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The canonical SMILES for 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine is NCC(=CF)Cc1csc(Cl)c1.
What is the InChIKey of 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
The InChIKey is JEMRUAKCZVXDPS-UHFFFAOYSA-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.
What are the key properties of 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine?
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 2-[(5-chlorothiophen-3-yl)methyl]-3-fluoroprop-2-en-1-amine is sourced from PubChem (CID 66982442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).