2-(3-fluorothian-4-yl)ethanamine

C7H14FNS — CID 84764718

IUPAC2-(3-fluorothian-4-yl)ethanamine
SMILESNCCC1CCSCC1F
InChIInChI=1S/C7H14FNS/c8-7-5-10-4-2-6(7)1-3-9/h6-7H,1-5,9H2
InChIKeyLGQDXKIGACLHAL-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds2

About 2-(3-fluorothian-4-yl)ethanamine

2-(3-fluorothian-4-yl)ethanamine (PubChem CID 84764718) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(3-fluorothian-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorothian-4-yl)ethanamine
PubChem CID84764718
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name2-(3-fluorothian-4-yl)ethanamine
SMILESNCCC1CCSCC1F
InChIInChI=1S/C7H14FNS/c8-7-5-10-4-2-6(7)1-3-9/h6-7H,1-5,9H2
InChIKeyLGQDXKIGACLHAL-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothian-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorothian-4-yl)ethanamine (CID 84764718) is 2-(3-fluorothian-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorothian-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorothian-4-yl)ethanamine is NCCC1CCSCC1F.
What is the InChIKey of 2-(3-fluorothian-4-yl)ethanamine?
The InChIKey is LGQDXKIGACLHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-7-5-10-4-2-6(7)1-3-9/h6-7H,1-5,9H2.
What are the key properties of 2-(3-fluorothian-4-yl)ethanamine?
2-(3-fluorothian-4-yl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothian-4-yl)ethanamine is sourced from PubChem (CID 84764718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).