2-(3,3,3-trifluoropropylamino)ethanol

C5H10F3NO — CID 60684367

IUPAC2-(3,3,3-trifluoropropylamino)ethanol
SMILESOCCNCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)1-2-9-3-4-10/h9-10H,1-4H2
InChIKeyYVTLIWXUEFNIJX-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.52
Rot. Bonds4

About 2-(3,3,3-trifluoropropylamino)ethanol

2-(3,3,3-trifluoropropylamino)ethanol (PubChem CID 60684367) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)ethanol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)ethanol
PubChem CID60684367
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2-(3,3,3-trifluoropropylamino)ethanol
SMILESOCCNCCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)1-2-9-3-4-10/h9-10H,1-4H2
InChIKeyYVTLIWXUEFNIJX-UHFFFAOYSA-N
XLogP0.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(3,3,3-trifluoropropylamino)ethanol?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)ethanol (CID 60684367) is 2-(3,3,3-trifluoropropylamino)ethanol.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)ethanol?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)ethanol is OCCNCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)ethanol?
The InChIKey is YVTLIWXUEFNIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)1-2-9-3-4-10/h9-10H,1-4H2.
What are the key properties of 2-(3,3,3-trifluoropropylamino)ethanol?
2-(3,3,3-trifluoropropylamino)ethanol has a molecular weight of 157.13 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)ethanol is sourced from PubChem (CID 60684367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).