1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol

C5H10F3NO2 — CID 63901469

IUPAC1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)4(11)3-9-1-2-10/h4,9-11H,1-3H2
InChIKeyYLWTVUCNDIHUKB-UHFFFAOYSA-N
MW173.13 g/mol
LogP-0.51
Rot. Bonds4

About 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol

1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol (PubChem CID 63901469) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol
PubChem CID63901469
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol
SMILESOCCNCC(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO2/c6-5(7,8)4(11)3-9-1-2-10/h4,9-11H,1-3H2
InChIKeyYLWTVUCNDIHUKB-UHFFFAOYSA-N
XLogP-0.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
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 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol (CID 63901469) is 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol is OCCNCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol?
The InChIKey is YLWTVUCNDIHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c6-5(7,8)4(11)3-9-1-2-10/h4,9-11H,1-3H2.
What are the key properties of 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol?
1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol has a molecular weight of 173.13 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-hydroxyethylamino)propan-2-ol is sourced from PubChem (CID 63901469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).