ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine

C8H18FNO — CID 169266137

IUPACethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
SMILESCC.CCNCC1(F)COC1
InChIInChI=1S/C6H12FNO.C2H6/c1-2-8-3-6(7)4-9-5-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyZBQOCNZTZINWKN-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.36
Rot. Bonds3

About ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine

ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine (PubChem CID 169266137) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
PubChem CID169266137
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Nameethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
SMILESCC.CCNCC1(F)COC1
InChIInChI=1S/C6H12FNO.C2H6/c1-2-8-3-6(7)4-9-5-6;1-2/h8H,2-5H2,1H3;1-2H3
InChIKeyZBQOCNZTZINWKN-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine?
The IUPAC name of ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine (CID 169266137) is ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine is CC.CCNCC1(F)COC1.
What is the InChIKey of ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine?
The InChIKey is ZBQOCNZTZINWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO.C2H6/c1-2-8-3-6(7)4-9-5-6;1-2/h8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine?
ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine has a molecular weight of 163.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine is sourced from PubChem (CID 169266137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).