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

C9H18F3N3O2 — CID 103370822

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-17-5-3-15(2-4-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14)
InChIKeyYWAQRPTVUQZSCN-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.04
Rot. Bonds8

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

3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide (PubChem CID 103370822) has the molecular formula C9H18F3N3O2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide
PubChem CID103370822
Molecular FormulaC9H18F3N3O2
Molecular Weight257.26 g/mol
Exact Mass257.14
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CCOC)C(F)(F)F
InChIInChI=1S/C9H18F3N3O2/c1-17-5-3-15(2-4-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14)
InChIKeyYWAQRPTVUQZSCN-UHFFFAOYSA-N
XLogP0.04
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-N'-hydroxy-2-methylpropanimidamide
CID 54987483
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
N'-hydroxy-2-methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 54991981
3-[ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-N'-hydroxypropanimidamide
CID 54992458
3-[2-Methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55170948
N'-hydroxy-3-[2-methoxyethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 55171522
N'-hydroxy-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490536
3-[Methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61490646
3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61576310
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

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide (CID 103370822) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(CCO)CCOC)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide?
The InChIKey is YWAQRPTVUQZSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2/c1-17-5-3-15(2-4-16)6-7(8(13)14)9(10,11)12/h7,16H,2-6H2,1H3,(H3,13,14).
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide has a molecular weight of 257.26 g/mol, XLogP of 0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2-methoxyethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).