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

C8H16FNO2 — CID 106100915

IUPAC3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCCF
InChIInChI=1S/C8H16FNO2/c1-7-8(11,2-5-12-7)6-10-4-3-9/h7,10-11H,2-6H2,1H3
InChIKeyKRVVMQJDWYVLJJ-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.09
Rot. Bonds4

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

3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106100915) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106100915
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCCF
InChIInChI=1S/C8H16FNO2/c1-7-8(11,2-5-12-7)6-10-4-3-9/h7,10-11H,2-6H2,1H3
InChIKeyKRVVMQJDWYVLJJ-UHFFFAOYSA-N
XLogP0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
3-[(1,1-Difluoropropan-2-ylamino)methyl]oxolan-3-ol
CID 106099939
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
3-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100420
3-[(2-Fluoroethylamino)methyl]oxolan-3-ol
CID 106100438
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100444
3-[(3-Fluoropropylamino)methyl]oxolan-3-ol
CID 106100456
3-[(4,4,4-Trifluorobutylamino)methyl]oxolan-3-ol
CID 106100553
3-[(3,3,3-Trifluoropropylamino)methyl]oxolan-3-ol
CID 106100555
3-[(2,2-Difluoroethylamino)methyl]oxolan-3-ol
CID 106100612
3-[[2-(Trifluoromethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100832

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol (CID 106100915) is 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCCF.
What is the InChIKey of 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is KRVVMQJDWYVLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-7-8(11,2-5-12-7)6-10-4-3-9/h7,10-11H,2-6H2,1H3.
What are the key properties of 3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol?
3-[(2-fluoroethylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 177.22 g/mol, XLogP of 0.09, 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]-2-methyloxolan-3-ol is sourced from PubChem (CID 106100915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).