N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine

C8H16FNO — CID 80696129

IUPACN-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCF)C1CCCO1
InChIInChI=1S/C8H16FNO/c1-7(10-5-4-9)8-3-2-6-11-8/h7-8,10H,2-6H2,1H3
InChIKeyACPPXGDPTGYXOL-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine

N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 80696129) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID80696129
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCCF)C1CCCO1
InChIInChI=1S/C8H16FNO/c1-7(10-5-4-9)8-3-2-6-11-8/h7-8,10H,2-6H2,1H3
InChIKeyACPPXGDPTGYXOL-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine (CID 80696129) is N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine is CC(NCCF)C1CCCO1.
What is the InChIKey of N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is ACPPXGDPTGYXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(10-5-4-9)8-3-2-6-11-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine?
N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 80696129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).