2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine

C10H12FNOS — CID 123631849

IUPAC2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine
SMILESC=C1COC(c2sccc2F)C(N)C1
InChIInChI=1S/C10H12FNOS/c1-6-4-8(12)9(13-5-6)10-7(11)2-3-14-10/h2-3,8-9H,1,4-5,12H2
InChIKeyWMUHJPQUXTVNDA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.23
Rot. Bonds1

About 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine

2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine (PubChem CID 123631849) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine.

Molecular Properties

Compound Name2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine
PubChem CID123631849
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine
SMILESC=C1COC(c2sccc2F)C(N)C1
InChIInChI=1S/C10H12FNOS/c1-6-4-8(12)9(13-5-6)10-7(11)2-3-14-10/h2-3,8-9H,1,4-5,12H2
InChIKeyWMUHJPQUXTVNDA-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine?
The IUPAC name of 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine (CID 123631849) is 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine.
What is the SMILES notation for 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine?
The canonical SMILES for 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine is C=C1COC(c2sccc2F)C(N)C1.
What is the InChIKey of 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine?
The InChIKey is WMUHJPQUXTVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-6-4-8(12)9(13-5-6)10-7(11)2-3-14-10/h2-3,8-9H,1,4-5,12H2.
What are the key properties of 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine?
2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine has a molecular weight of 213.28 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiophen-2-yl)-5-methylideneoxan-3-amine is sourced from PubChem (CID 123631849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).