3-[(2-fluoroethylamino)methyl]oxolan-3-amine

C7H15FN2O — CID 130504584

IUPAC3-[(2-fluoroethylamino)methyl]oxolan-3-amine
SMILESNC1(CNCCF)CCOC1
InChIInChI=1S/C7H15FN2O/c8-2-3-10-5-7(9)1-4-11-6-7/h10H,1-6,9H2
InChIKeyIZEJMIQAWNHFCU-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.34
Rot. Bonds4

About 3-[(2-fluoroethylamino)methyl]oxolan-3-amine

3-[(2-fluoroethylamino)methyl]oxolan-3-amine (PubChem CID 130504584) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is 3-[(2-fluoroethylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(2-fluoroethylamino)methyl]oxolan-3-amine
PubChem CID130504584
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name3-[(2-fluoroethylamino)methyl]oxolan-3-amine
SMILESNC1(CNCCF)CCOC1
InChIInChI=1S/C7H15FN2O/c8-2-3-10-5-7(9)1-4-11-6-7/h10H,1-6,9H2
InChIKeyIZEJMIQAWNHFCU-UHFFFAOYSA-N
XLogP-0.34
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoroethylamino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(2-fluoroethylamino)methyl]oxolan-3-amine (CID 130504584) is 3-[(2-fluoroethylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(2-fluoroethylamino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(2-fluoroethylamino)methyl]oxolan-3-amine is NC1(CNCCF)CCOC1.
What is the InChIKey of 3-[(2-fluoroethylamino)methyl]oxolan-3-amine?
The InChIKey is IZEJMIQAWNHFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O/c8-2-3-10-5-7(9)1-4-11-6-7/h10H,1-6,9H2.
What are the key properties of 3-[(2-fluoroethylamino)methyl]oxolan-3-amine?
3-[(2-fluoroethylamino)methyl]oxolan-3-amine has a molecular weight of 162.21 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoroethylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 130504584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).