1-(3-fluorothian-3-yl)ethanamine

C7H14FNS — CID 105432269

IUPAC1-(3-fluorothian-3-yl)ethanamine
SMILESCC(N)C1(F)CCCSC1
InChIInChI=1S/C7H14FNS/c1-6(9)7(8)3-2-4-10-5-7/h6H,2-5,9H2,1H3
InChIKeyCTGBMNWUWMESJA-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.57
Rot. Bonds1

About 1-(3-fluorothian-3-yl)ethanamine

1-(3-fluorothian-3-yl)ethanamine (PubChem CID 105432269) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 1-(3-fluorothian-3-yl)ethanamine.

Molecular Properties

Compound Name1-(3-fluorothian-3-yl)ethanamine
PubChem CID105432269
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name1-(3-fluorothian-3-yl)ethanamine
SMILESCC(N)C1(F)CCCSC1
InChIInChI=1S/C7H14FNS/c1-6(9)7(8)3-2-4-10-5-7/h6H,2-5,9H2,1H3
InChIKeyCTGBMNWUWMESJA-UHFFFAOYSA-N
XLogP1.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothian-3-yl)ethanamine?
The IUPAC name of 1-(3-fluorothian-3-yl)ethanamine (CID 105432269) is 1-(3-fluorothian-3-yl)ethanamine.
What is the SMILES notation for 1-(3-fluorothian-3-yl)ethanamine?
The canonical SMILES for 1-(3-fluorothian-3-yl)ethanamine is CC(N)C1(F)CCCSC1.
What is the InChIKey of 1-(3-fluorothian-3-yl)ethanamine?
The InChIKey is CTGBMNWUWMESJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-6(9)7(8)3-2-4-10-5-7/h6H,2-5,9H2,1H3.
What are the key properties of 1-(3-fluorothian-3-yl)ethanamine?
1-(3-fluorothian-3-yl)ethanamine has a molecular weight of 163.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothian-3-yl)ethanamine is sourced from PubChem (CID 105432269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).