3-[(3-fluoropropylamino)methyl]oxolan-3-ol

C8H16FNO2 — CID 106100456

IUPAC3-[(3-fluoropropylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCCF)CCOC1
InChIInChI=1S/C8H16FNO2/c9-3-1-4-10-6-8(11)2-5-12-7-8/h10-11H,1-7H2
InChIKeyRCIXVTWKYBVEOD-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.09
Rot. Bonds5

About 3-[(3-fluoropropylamino)methyl]oxolan-3-ol

3-[(3-fluoropropylamino)methyl]oxolan-3-ol (PubChem CID 106100456) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]oxolan-3-ol
PubChem CID106100456
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name3-[(3-fluoropropylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCCF)CCOC1
InChIInChI=1S/C8H16FNO2/c9-3-1-4-10-6-8(11)2-5-12-7-8/h10-11H,1-7H2
InChIKeyRCIXVTWKYBVEOD-UHFFFAOYSA-N
XLogP0.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Related Compounds

3-(Methoxymethyl)pyrrolidin-3-ol
CID 21918851
4-[(2-Fluoroethylamino)methyl]oxolan-3-ol
CID 156730918
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]ethanamine
CID 104760680
3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760690
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104760767
4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
CID 104760780
N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 104760899
3-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760940
1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 104761012
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropropylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]oxolan-3-ol (CID 106100456) is 3-[(3-fluoropropylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]oxolan-3-ol is OC1(CNCCCF)CCOC1.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]oxolan-3-ol?
The InChIKey is RCIXVTWKYBVEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c9-3-1-4-10-6-8(11)2-5-12-7-8/h10-11H,1-7H2.
What are the key properties of 3-[(3-fluoropropylamino)methyl]oxolan-3-ol?
3-[(3-fluoropropylamino)methyl]oxolan-3-ol has a molecular weight of 177.22 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropropylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).