3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol

C5H11F3N2O — CID 63899233

IUPAC3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol
SMILESNCCNCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c6-5(7,8)4(11)3-10-2-1-9/h4,10-11H,1-3,9H2
InChIKeyLCNOQIWCSNJSEI-UHFFFAOYSA-N
MW172.15 g/mol
LogP-0.54
Rot. Bonds4

About 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol

3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63899233) has the molecular formula C5H11F3N2O and a molecular weight of 172.15 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63899233
Molecular FormulaC5H11F3N2O
Molecular Weight172.15 g/mol
Exact Mass172.08
IUPAC Name3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol
SMILESNCCNCC(O)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c6-5(7,8)4(11)3-10-2-1-9/h4,10-11H,1-3,9H2
InChIKeyLCNOQIWCSNJSEI-UHFFFAOYSA-N
XLogP-0.54
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 5-0.54
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 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol (CID 63899233) is 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol is NCCNCC(O)C(F)(F)F.
What is the InChIKey of 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is LCNOQIWCSNJSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2O/c6-5(7,8)4(11)3-10-2-1-9/h4,10-11H,1-3,9H2.
What are the key properties of 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol?
3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 172.15 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).