4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol

C12H16FNO2 — CID 77456417

IUPAC4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol
SMILESCC(N)(c1ccccc1F)C1COCC1O
InChIInChI=1S/C12H16FNO2/c1-12(14,9-6-16-7-11(9)15)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7,14H2,1H3
InChIKeyJEQDJOOJPQZJNV-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.01
Rot. Bonds2

About 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol

4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol (PubChem CID 77456417) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol.

Molecular Properties

Compound Name4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol
PubChem CID77456417
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol
SMILESCC(N)(c1ccccc1F)C1COCC1O
InChIInChI=1S/C12H16FNO2/c1-12(14,9-6-16-7-11(9)15)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7,14H2,1H3
InChIKeyJEQDJOOJPQZJNV-UHFFFAOYSA-N
XLogP1.01
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol?
The IUPAC name of 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol (CID 77456417) is 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol.
What is the SMILES notation for 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol?
The canonical SMILES for 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol is CC(N)(c1ccccc1F)C1COCC1O.
What is the InChIKey of 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol?
The InChIKey is JEQDJOOJPQZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(14,9-6-16-7-11(9)15)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7,14H2,1H3.
What are the key properties of 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol?
4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol has a molecular weight of 225.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-1-(2-fluorophenyl)ethyl]oxolan-3-ol is sourced from PubChem (CID 77456417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).