3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol

C10H20F3NO2 — CID 65111442

IUPAC3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(15,4-2)7-14-5-6-16-8-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyDNFFSPUGXDNVKE-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.71
Rot. Bonds8

About 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol

3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol (PubChem CID 65111442) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol
PubChem CID65111442
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(15,4-2)7-14-5-6-16-8-10(11,12)13/h14-15H,3-8H2,1-2H3
InChIKeyDNFFSPUGXDNVKE-UHFFFAOYSA-N
XLogP1.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.71
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-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol (CID 65111442) is 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCOCC(F)(F)F.
What is the InChIKey of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol?
The InChIKey is DNFFSPUGXDNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-3-9(15,4-2)7-14-5-6-16-8-10(11,12)13/h14-15H,3-8H2,1-2H3.
What are the key properties of 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol?
3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol has a molecular weight of 243.27 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65111442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).