2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine

C12H16FNO — CID 84722873

IUPAC2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2(F)CCOC2)c1
InChIInChI=1S/C12H16FNO/c13-12(5-7-15-9-12)11-3-1-2-10(8-11)4-6-14/h1-3,8H,4-7,9,14H2
InChIKeyFIRBYBUERCZZBL-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.77
Rot. Bonds3

About 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine

2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine (PubChem CID 84722873) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine
PubChem CID84722873
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine
SMILESNCCc1cccc(C2(F)CCOC2)c1
InChIInChI=1S/C12H16FNO/c13-12(5-7-15-9-12)11-3-1-2-10(8-11)4-6-14/h1-3,8H,4-7,9,14H2
InChIKeyFIRBYBUERCZZBL-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine?
The IUPAC name of 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine (CID 84722873) is 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine?
The canonical SMILES for 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine is NCCc1cccc(C2(F)CCOC2)c1.
What is the InChIKey of 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine?
The InChIKey is FIRBYBUERCZZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-12(5-7-15-9-12)11-3-1-2-10(8-11)4-6-14/h1-3,8H,4-7,9,14H2.
What are the key properties of 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine?
2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine has a molecular weight of 209.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorooxolan-3-yl)phenyl]ethanamine is sourced from PubChem (CID 84722873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).