2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide

C8H16F3N3O — CID 107480296

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-6(7(12)13)14(3-4-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyBVMIYXNBMCCONY-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide (PubChem CID 107480296) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
PubChem CID107480296
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-6(7(12)13)14(3-4-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13)
InChIKeyBVMIYXNBMCCONY-UHFFFAOYSA-N
XLogP0.56
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 ≤ 50.56
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]butanimidamide
CID 65804093
2-[[Ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 103370600
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
3,3,3-Trifluoro-2-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]propanimidamide
CID 103370662
3,3,3-Trifluoro-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370821
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480136
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxybutanimidamide
CID 107480149
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxypropanimidamide
CID 107480156
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480164
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 107480175
N'-hydroxy-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propanimidamide
CID 107480182

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide (CID 107480296) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide is [H]/N=C(\N)C(CC)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide?
The InChIKey is BVMIYXNBMCCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-2-6(7(12)13)14(3-4-15)5-8(9,10)11/h6,15H,2-5H2,1H3,(H3,12,13).
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide has a molecular weight of 227.23 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]butanimidamide is sourced from PubChem (CID 107480296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).