2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C8H16F3N3O — CID 103370600

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-14(3-4-15)5-6(7(12)13)8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyRDYIGSABXGZYOM-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.42
Rot. Bonds6

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370600) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370600
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CC)CCO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-14(3-4-15)5-6(7(12)13)8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyRDYIGSABXGZYOM-UHFFFAOYSA-N
XLogP0.42
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.42
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-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[2,2-Difluoroethyl(2-methoxyethyl)amino]propanimidamide
CID 63285679
3-[2-Methoxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 63286213
3-[2-Methoxyethyl(3,3,3-trifluoropropyl)amino]propanimidamide
CID 64566496
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803672
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370600) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CC)CCO)C(F)(F)F.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is RDYIGSABXGZYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-2-14(3-4-15)5-6(7(12)13)8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).