3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide

C13H18F3N3O — CID 107480311

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)8-11(12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18)
InChIKeyYJGPFOWIINZHMM-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.56
Rot. Bonds7

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide (PubChem CID 107480311) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
PubChem CID107480311
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)8-11(12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18)
InChIKeyYJGPFOWIINZHMM-UHFFFAOYSA-N
XLogP1.56
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide (CID 107480311) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide is [H]/N=C(\N)C(CN(CCO)CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
The InChIKey is YJGPFOWIINZHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)9-19(6-7-20)8-11(12(17)18)10-4-2-1-3-5-10/h1-5,11,20H,6-9H2,(H3,17,18).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide has a molecular weight of 289.30 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 107480311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).