1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C13H17F4NO2 — CID 107487213

IUPAC1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C13H17F4NO2/c14-11-4-2-1-3-10(11)12(20)5-6-18(7-8-19)9-13(15,16)17/h1-4,12,19-20H,5-9H2
InChIKeyFYOUXMSEZCLVSO-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.11
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 107487213) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID107487213
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOCCN(CCC(O)c1ccccc1F)CC(F)(F)F
InChIInChI=1S/C13H17F4NO2/c14-11-4-2-1-3-10(11)12(20)5-6-18(7-8-19)9-13(15,16)17/h1-4,12,19-20H,5-9H2
InChIKeyFYOUXMSEZCLVSO-UHFFFAOYSA-N
XLogP2.11
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 107487213) is 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OCCN(CCC(O)c1ccccc1F)CC(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is FYOUXMSEZCLVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c14-11-4-2-1-3-10(11)12(20)5-6-18(7-8-19)9-13(15,16)17/h1-4,12,19-20H,5-9H2.
What are the key properties of 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 295.28 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 107487213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).