2-(4-fluorophenyl)sulfanylethanamine

C8H10FNS — CID 3614659

IUPAC2-(4-fluorophenyl)sulfanylethanamine
SMILESNCCSc1ccc(F)cc1
InChIInChI=1S/C8H10FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyVVAKGUUGRVPWTA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.88
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanylethanamine

2-(4-fluorophenyl)sulfanylethanamine (PubChem CID 3614659) has the molecular formula C8H10FNS and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanylethanamine
PubChem CID3614659
Molecular FormulaC8H10FNS
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name2-(4-fluorophenyl)sulfanylethanamine
SMILESNCCSc1ccc(F)cc1
InChIInChI=1S/C8H10FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2
InChIKeyVVAKGUUGRVPWTA-UHFFFAOYSA-N
XLogP1.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-fluorophenyl)sulfanylethanamine 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 2-(4-fluorophenyl)sulfanylethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanylethanamine (CID 3614659) is 2-(4-fluorophenyl)sulfanylethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanylethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanylethanamine is NCCSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanylethanamine?
The InChIKey is VVAKGUUGRVPWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,5-6,10H2.
What are the key properties of 2-(4-fluorophenyl)sulfanylethanamine?
2-(4-fluorophenyl)sulfanylethanamine has a molecular weight of 171.24 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanylethanamine is sourced from PubChem (CID 3614659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).