2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine

C12H16FNO — CID 61077984

IUPAC2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1)C1CCCO1
InChIInChI=1S/C12H16FNO/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1,3-4,7,11-12H,2,5-6,8,14H2
InChIKeyWYINYWPCWZITKU-UHFFFAOYSA-N
MW209.26 g/mol
LogP1.87
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine

2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 61077984) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine
PubChem CID61077984
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine
SMILESNC(Cc1cccc(F)c1)C1CCCO1
InChIInChI=1S/C12H16FNO/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1,3-4,7,11-12H,2,5-6,8,14H2
InChIKeyWYINYWPCWZITKU-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine (CID 61077984) is 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine is NC(Cc1cccc(F)c1)C1CCCO1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is WYINYWPCWZITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-4-1-3-9(7-10)8-11(14)12-5-2-6-15-12/h1,3-4,7,11-12H,2,5-6,8,14H2.
What are the key properties of 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine?
2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 209.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 61077984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).