1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol

C13H18FNO2 — CID 79127141

IUPAC1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CCOC1
InChIInChI=1S/C13H18FNO2/c1-12(16,10-3-2-4-11(14)7-10)13(8-15)5-6-17-9-13/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyPCJROXAOAQMXRB-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.40
Rot. Bonds3

About 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol

1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol (PubChem CID 79127141) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol
PubChem CID79127141
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol
SMILESCC(O)(c1cccc(F)c1)C1(CN)CCOC1
InChIInChI=1S/C13H18FNO2/c1-12(16,10-3-2-4-11(14)7-10)13(8-15)5-6-17-9-13/h2-4,7,16H,5-6,8-9,15H2,1H3
InChIKeyPCJROXAOAQMXRB-UHFFFAOYSA-N
XLogP1.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol?
The IUPAC name of 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol (CID 79127141) is 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol is CC(O)(c1cccc(F)c1)C1(CN)CCOC1.
What is the InChIKey of 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol?
The InChIKey is PCJROXAOAQMXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-12(16,10-3-2-4-11(14)7-10)13(8-15)5-6-17-9-13/h2-4,7,16H,5-6,8-9,15H2,1H3.
What are the key properties of 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol?
1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol has a molecular weight of 239.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)oxolan-3-yl]-1-(3-fluorophenyl)ethanol is sourced from PubChem (CID 79127141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).