4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol

C11H20F3NO3 — CID 81130704

IUPAC4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO3/c12-11(13,14)9-18-5-1-4-15-8-10(16)2-6-17-7-3-10/h15-16H,1-9H2
InChIKeyUPMSQHVRFCWWLP-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.09
Rot. Bonds7

About 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol

4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol (PubChem CID 81130704) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol
PubChem CID81130704
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol
SMILESOC1(CNCCCOCC(F)(F)F)CCOCC1
InChIInChI=1S/C11H20F3NO3/c12-11(13,14)9-18-5-1-4-15-8-10(16)2-6-17-7-3-10/h15-16H,1-9H2
InChIKeyUPMSQHVRFCWWLP-UHFFFAOYSA-N
XLogP1.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol (CID 81130704) is 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol is OC1(CNCCCOCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol?
The InChIKey is UPMSQHVRFCWWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c12-11(13,14)9-18-5-1-4-15-8-10(16)2-6-17-7-3-10/h15-16H,1-9H2.
What are the key properties of 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol?
4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol has a molecular weight of 271.28 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]oxan-4-ol is sourced from PubChem (CID 81130704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).