4-[(2-fluoroethylamino)methyl]oxolan-3-ol

C7H14FNO2 — CID 156730918

IUPAC4-[(2-fluoroethylamino)methyl]oxolan-3-ol
SMILESOC1COCC1CNCCF
InChIInChI=1S/C7H14FNO2/c8-1-2-9-3-6-4-11-5-7(6)10/h6-7,9-10H,1-5H2
InChIKeyDVJSLTBMTDRMER-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.45
Rot. Bonds4

About 4-[(2-fluoroethylamino)methyl]oxolan-3-ol

4-[(2-fluoroethylamino)methyl]oxolan-3-ol (PubChem CID 156730918) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-[(2-fluoroethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name4-[(2-fluoroethylamino)methyl]oxolan-3-ol
PubChem CID156730918
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-[(2-fluoroethylamino)methyl]oxolan-3-ol
SMILESOC1COCC1CNCCF
InChIInChI=1S/C7H14FNO2/c8-1-2-9-3-6-4-11-5-7(6)10/h6-7,9-10H,1-5H2
InChIKeyDVJSLTBMTDRMER-UHFFFAOYSA-N
XLogP-0.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.45
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 4-[(2-fluoroethylamino)methyl]oxolan-3-ol?
The IUPAC name of 4-[(2-fluoroethylamino)methyl]oxolan-3-ol (CID 156730918) is 4-[(2-fluoroethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 4-[(2-fluoroethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 4-[(2-fluoroethylamino)methyl]oxolan-3-ol is OC1COCC1CNCCF.
What is the InChIKey of 4-[(2-fluoroethylamino)methyl]oxolan-3-ol?
The InChIKey is DVJSLTBMTDRMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c8-1-2-9-3-6-4-11-5-7(6)10/h6-7,9-10H,1-5H2.
What are the key properties of 4-[(2-fluoroethylamino)methyl]oxolan-3-ol?
4-[(2-fluoroethylamino)methyl]oxolan-3-ol has a molecular weight of 163.19 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoroethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 156730918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).