2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine

C7H9ClFNS — CID 83818398

IUPAC2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyXHIMANKZJYGUEN-UHFFFAOYSA-N
MW193.67 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine

2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine (PubChem CID 83818398) has the molecular formula C7H9ClFNS and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine
PubChem CID83818398
Molecular FormulaC7H9ClFNS
Molecular Weight193.67 g/mol
Exact Mass193.01
IUPAC Name2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine
SMILESNCC(CF)c1ccc(Cl)s1
InChIInChI=1S/C7H9ClFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2
InChIKeyXHIMANKZJYGUEN-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine (CID 83818398) is 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine is NCC(CF)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine?
The InChIKey is XHIMANKZJYGUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFNS/c8-7-2-1-6(11-7)5(3-9)4-10/h1-2,5H,3-4,10H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine?
2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine has a molecular weight of 193.67 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-fluoropropan-1-amine is sourced from PubChem (CID 83818398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).