2,2,2-trifluoro-1-(propylamino)ethanol

C5H10F3NO — CID 123673955

IUPAC2,2,2-trifluoro-1-(propylamino)ethanol
SMILESCCCNC(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3-9-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyAYELYMKLSRBYDD-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.87
Rot. Bonds3

About 2,2,2-trifluoro-1-(propylamino)ethanol

2,2,2-trifluoro-1-(propylamino)ethanol (PubChem CID 123673955) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(propylamino)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(propylamino)ethanol
PubChem CID123673955
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name2,2,2-trifluoro-1-(propylamino)ethanol
SMILESCCCNC(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-2-3-9-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyAYELYMKLSRBYDD-UHFFFAOYSA-N
XLogP0.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(propylamino)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(propylamino)ethanol (CID 123673955) is 2,2,2-trifluoro-1-(propylamino)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(propylamino)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(propylamino)ethanol is CCCNC(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(propylamino)ethanol?
The InChIKey is AYELYMKLSRBYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-2-3-9-4(10)5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(propylamino)ethanol?
2,2,2-trifluoro-1-(propylamino)ethanol has a molecular weight of 157.13 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(propylamino)ethanol is sourced from PubChem (CID 123673955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).