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

C7H14F3N3O — CID 107480298

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c8-7(9,10)5-13(3-4-14)2-1-6(11)12/h14H,1-5H2,(H3,11,12)
InChIKeyMCTRJJVNIFPIKB-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.17
Rot. Bonds6

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

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (PubChem CID 107480298) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
PubChem CID107480298
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c8-7(9,10)5-13(3-4-14)2-1-6(11)12/h14H,1-5H2,(H3,11,12)
InChIKeyMCTRJJVNIFPIKB-UHFFFAOYSA-N
XLogP0.17
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.17
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]propanimidamide?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide (CID 107480298) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
The InChIKey is MCTRJJVNIFPIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c8-7(9,10)5-13(3-4-14)2-1-6(11)12/h14H,1-5H2,(H3,11,12).
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide has a molecular weight of 213.20 g/mol, XLogP of 0.17, 6 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]propanimidamide is sourced from PubChem (CID 107480298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).