2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol

C10H18F3NO2 — CID 159623144

IUPAC2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol
SMILESC=CCC(OC(C)(C)NCCO)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-8(10(11,12)13)16-9(2,3)14-6-7-15/h4,8,14-15H,1,5-7H2,2-3H3
InChIKeyMODMVGIBPNYLMU-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.83
Rot. Bonds7

About 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol

2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol (PubChem CID 159623144) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol
PubChem CID159623144
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol
SMILESC=CCC(OC(C)(C)NCCO)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-5-8(10(11,12)13)16-9(2,3)14-6-7-15/h4,8,14-15H,1,5-7H2,2-3H3
InChIKeyMODMVGIBPNYLMU-UHFFFAOYSA-N
XLogP1.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol 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

3-(2-But-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol
CID 106401410
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol (CID 159623144) is 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol is C=CCC(OC(C)(C)NCCO)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol?
The InChIKey is MODMVGIBPNYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-5-8(10(11,12)13)16-9(2,3)14-6-7-15/h4,8,14-15H,1,5-7H2,2-3H3.
What are the key properties of 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol?
2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol has a molecular weight of 241.25 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1-trifluoropent-4-en-2-yloxy)propan-2-ylamino]ethanol is sourced from PubChem (CID 159623144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).