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

C7H14FNO2 — CID 106100438

IUPAC3-[(2-fluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCF)CCOC1
InChIInChI=1S/C7H14FNO2/c8-2-3-9-5-7(10)1-4-11-6-7/h9-10H,1-6H2
InChIKeyFAWAFPYMFNZVCG-UHFFFAOYSA-N
MW163.19 g/mol
LogP-0.30
Rot. Bonds4

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

3-[(2-fluoroethylamino)methyl]oxolan-3-ol (PubChem CID 106100438) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 3-[(2-fluoroethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2-fluoroethylamino)methyl]oxolan-3-ol
PubChem CID106100438
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name3-[(2-fluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCF)CCOC1
InChIInChI=1S/C7H14FNO2/c8-2-3-9-5-7(10)1-4-11-6-7/h9-10H,1-6H2
InChIKeyFAWAFPYMFNZVCG-UHFFFAOYSA-N
XLogP-0.30
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 ≤ 5-0.30
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-ol?
The IUPAC name of 3-[(2-fluoroethylamino)methyl]oxolan-3-ol (CID 106100438) is 3-[(2-fluoroethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2-fluoroethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2-fluoroethylamino)methyl]oxolan-3-ol is OC1(CNCCF)CCOC1.
What is the InChIKey of 3-[(2-fluoroethylamino)methyl]oxolan-3-ol?
The InChIKey is FAWAFPYMFNZVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c8-2-3-9-5-7(10)1-4-11-6-7/h9-10H,1-6H2.
What are the key properties of 3-[(2-fluoroethylamino)methyl]oxolan-3-ol?
3-[(2-fluoroethylamino)methyl]oxolan-3-ol has a molecular weight of 163.19 g/mol, XLogP of -0.30, 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-ol is sourced from PubChem (CID 106100438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).