2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine

C12H16FNS — CID 83823369

IUPAC2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine
SMILESNCCC1(c2ccc(F)cc2)CCSC1
InChIInChI=1S/C12H16FNS/c13-11-3-1-10(2-4-11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2
InChIKeyNAXOYZUXJVURNK-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.55
Rot. Bonds3

About 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine

2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine (PubChem CID 83823369) has the molecular formula C12H16FNS and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine
PubChem CID83823369
Molecular FormulaC12H16FNS
Molecular Weight225.33 g/mol
Exact Mass225.10
IUPAC Name2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine
SMILESNCCC1(c2ccc(F)cc2)CCSC1
InChIInChI=1S/C12H16FNS/c13-11-3-1-10(2-4-11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2
InChIKeyNAXOYZUXJVURNK-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine (CID 83823369) is 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine is NCCC1(c2ccc(F)cc2)CCSC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine?
The InChIKey is NAXOYZUXJVURNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNS/c13-11-3-1-10(2-4-11)12(5-7-14)6-8-15-9-12/h1-4H,5-9,14H2.
What are the key properties of 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine?
2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)thiolan-3-yl]ethanamine is sourced from PubChem (CID 83823369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).