2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine

C8H16FNO — CID 115012663

IUPAC2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCOC1
InChIInChI=1S/C8H16FNO/c1-7(9)8(2-4-10)3-5-11-6-8/h7H,2-6,10H2,1H3
InChIKeyPILRZXYOWPUBAJ-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds3

About 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine

2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine (PubChem CID 115012663) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine
PubChem CID115012663
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCOC1
InChIInChI=1S/C8H16FNO/c1-7(9)8(2-4-10)3-5-11-6-8/h7H,2-6,10H2,1H3
InChIKeyPILRZXYOWPUBAJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine?
The IUPAC name of 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine (CID 115012663) is 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine?
The canonical SMILES for 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine is CC(F)C1(CCN)CCOC1.
What is the InChIKey of 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine?
The InChIKey is PILRZXYOWPUBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(9)8(2-4-10)3-5-11-6-8/h7H,2-6,10H2,1H3.
What are the key properties of 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine?
2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethyl)oxolan-3-yl]ethanamine is sourced from PubChem (CID 115012663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).