3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol

C8H14F3NO2 — CID 106100555

IUPAC3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)1-3-12-5-7(13)2-4-14-6-7/h12-13H,1-6H2
InChIKeyMFSDTKCFDRDJMB-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds4

About 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol

3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol (PubChem CID 106100555) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
PubChem CID106100555
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol
SMILESOC1(CNCCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)1-3-12-5-7(13)2-4-14-6-7/h12-13H,1-6H2
InChIKeyMFSDTKCFDRDJMB-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
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-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol (CID 106100555) is 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol is OC1(CNCCC(F)(F)F)CCOC1.
What is the InChIKey of 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol?
The InChIKey is MFSDTKCFDRDJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)1-3-12-5-7(13)2-4-14-6-7/h12-13H,1-6H2.
What are the key properties of 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol?
3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,3-trifluoropropylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).