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

C8H13F6N3O — CID 107480312

IUPAC3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O/c9-7(10,11)4-17(1-2-18)3-5(6(15)16)8(12,13)14/h5,18H,1-4H2,(H3,15,16)
InChIKeyKEACCMBMVAQESU-UHFFFAOYSA-N
MW281.20 g/mol
LogP0.96
Rot. Bonds6

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

3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (PubChem CID 107480312) has the molecular formula C8H13F6N3O and a molecular weight of 281.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
PubChem CID107480312
Molecular FormulaC8H13F6N3O
Molecular Weight281.20 g/mol
Exact Mass281.10
IUPAC Name3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N3O/c9-7(10,11)4-17(1-2-18)3-5(6(15)16)8(12,13)14/h5,18H,1-4H2,(H3,15,16)
InChIKeyKEACCMBMVAQESU-UHFFFAOYSA-N
XLogP0.96
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 50.96
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

3,3,3-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-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103370591
3,3,3-Trifluoro-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103370599
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
3,3,3-Trifluoro-2-[[2-hydroxyethyl(propan-2-yl)amino]methyl]propanimidamide
CID 103370659
2-[[Cyclopropyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370660
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide (CID 107480312) is 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(CCO)CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
The InChIKey is KEACCMBMVAQESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N3O/c9-7(10,11)4-17(1-2-18)3-5(6(15)16)8(12,13)14/h5,18H,1-4H2,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]propanimidamide has a molecular weight of 281.20 g/mol, XLogP of 0.96, 6 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(2,2,2-trifluoroethyl)amino]methyl]propanimidamide is sourced from PubChem (CID 107480312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).