3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide

C7H14F3N3O — CID 103370599

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(2-3-14)4-5(6(11)12)7(8,9)10/h5,14H,2-4H2,1H3,(H3,11,12)
InChIKeySLKYAASCXRANSQ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.02
Rot. Bonds5

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

3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide (PubChem CID 103370599) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
PubChem CID103370599
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CCO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(2-3-14)4-5(6(11)12)7(8,9)10/h5,14H,2-4H2,1H3,(H3,11,12)
InChIKeySLKYAASCXRANSQ-UHFFFAOYSA-N
XLogP0.02
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.02
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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Related Compounds

3-[Methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803463
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103369303
2-[[butyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369322
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103369394
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
2-[[Bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370608
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propyl)amino]methyl]propanimidamide
CID 103370626

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide (CID 103370599) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide?
The InChIKey is SLKYAASCXRANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-13(2-3-14)4-5(6(11)12)7(8,9)10/h5,14H,2-4H2,1H3,(H3,11,12).
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide has a molecular weight of 213.20 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).