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

C8H16F3NO2 — CID 87526642

IUPAC3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol
SMILESOCCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c9-8(10,11)2-4-12(5-7-14)3-1-6-13/h13-14H,1-7H2
InChIKeyMOTJNCVYIYDFDX-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.62
Rot. Bonds7

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

3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol (PubChem CID 87526642) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol
PubChem CID87526642
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol
SMILESOCCCN(CCO)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c9-8(10,11)2-4-12(5-7-14)3-1-6-13/h13-14H,1-7H2
InChIKeyMOTJNCVYIYDFDX-UHFFFAOYSA-N
XLogP0.62
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol (CID 87526642) is 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol is OCCCN(CCO)CCC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
The InChIKey is MOTJNCVYIYDFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c9-8(10,11)2-4-12(5-7-14)3-1-6-13/h13-14H,1-7H2.
What are the key properties of 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol?
3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(3,3,3-trifluoropropyl)amino]propan-1-ol is sourced from PubChem (CID 87526642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).