4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine

C10H14FNOS — CID 96611519

IUPAC4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine
SMILESCc1cc(C2(N)CCOCC2)c(F)s1
InChIInChI=1S/C10H14FNOS/c1-7-6-8(9(11)14-7)10(12)2-4-13-5-3-10/h6H,2-5,12H2,1H3
InChIKeyDFBIVZVBUOEDGZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.16
Rot. Bonds1

About 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine

4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine (PubChem CID 96611519) has the molecular formula C10H14FNOS and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine
PubChem CID96611519
Molecular FormulaC10H14FNOS
Molecular Weight215.29 g/mol
Exact Mass215.08
IUPAC Name4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine
SMILESCc1cc(C2(N)CCOCC2)c(F)s1
InChIInChI=1S/C10H14FNOS/c1-7-6-8(9(11)14-7)10(12)2-4-13-5-3-10/h6H,2-5,12H2,1H3
InChIKeyDFBIVZVBUOEDGZ-UHFFFAOYSA-N
XLogP2.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine 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 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine?
The IUPAC name of 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine (CID 96611519) is 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine.
What is the SMILES notation for 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine?
The canonical SMILES for 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine is Cc1cc(C2(N)CCOCC2)c(F)s1.
What is the InChIKey of 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine?
The InChIKey is DFBIVZVBUOEDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNOS/c1-7-6-8(9(11)14-7)10(12)2-4-13-5-3-10/h6H,2-5,12H2,1H3.
What are the key properties of 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine?
4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine has a molecular weight of 215.29 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylthiophen-3-yl)oxan-4-amine is sourced from PubChem (CID 96611519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).