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

C12H16FNO — CID 63563411

IUPAC1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(N)(c1ccccc1F)C1CCOC1
InChIInChI=1S/C12H16FNO/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyUPBHITZVZPATGX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.04
Rot. Bonds2

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

1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine (PubChem CID 63563411) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine
PubChem CID63563411
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine
SMILESCC(N)(c1ccccc1F)C1CCOC1
InChIInChI=1S/C12H16FNO/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3
InChIKeyUPBHITZVZPATGX-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine (CID 63563411) is 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine is CC(N)(c1ccccc1F)C1CCOC1.
What is the InChIKey of 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
The InChIKey is UPBHITZVZPATGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-12(14,9-6-7-15-8-9)10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine?
1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine has a molecular weight of 209.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 63563411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).