3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide

C11H20F3N3O2 — CID 103370841

IUPAC3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-17(6-8(9(15)16)11(12,13)14)7-10(18)2-4-19-5-3-10/h8,18H,2-7H2,1H3,(H3,15,16)
InChIKeyLSGRRTYZRYPPNJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.57
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide

3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide (PubChem CID 103370841) has the molecular formula C11H20F3N3O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
PubChem CID103370841
Molecular FormulaC11H20F3N3O2
Molecular Weight283.29 g/mol
Exact Mass283.15
IUPAC Name3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)CC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C11H20F3N3O2/c1-17(6-8(9(15)16)11(12,13)14)7-10(18)2-4-19-5-3-10/h8,18H,2-7H2,1H3,(H3,15,16)
InChIKeyLSGRRTYZRYPPNJ-UHFFFAOYSA-N
XLogP0.57
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.57
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

4-[[[2-(Aminomethyl)-3,3,3-trifluoropropyl]-methylamino]methyl]oxan-4-ol
CID 103366484
3,3,3-trifluoro-N'-hydroxy-2-[[methyl(oxan-4-ylmethyl)amino]methyl]propanimidamide
CID 103369438
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methylamino]methyl]propanimidamide
CID 103370017
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide
CID 103370241
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-Trifluoro-2-[[methyl(oxan-4-ylmethyl)amino]methyl]propanimidamide
CID 113808158
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methylamino]-2-methylpropanimidamide
CID 81131075
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
CID 104985391
N'-hydroxy-5-[(4-hydroxyoxan-4-yl)methyl-methylamino]pentanimidamide
CID 104985392
N'-hydroxy-4-[(4-hydroxyoxan-4-yl)methyl-methylamino]butanimidamide
CID 104985396
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]-2-methylpropanimidamide
CID 104985398
N'-hydroxy-3-[(4-hydroxyoxan-4-yl)methyl-methylamino]propanimidamide
CID 104985399

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide (CID 103370841) is 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)CC1(O)CCOCC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide?
The InChIKey is LSGRRTYZRYPPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O2/c1-17(6-8(9(15)16)11(12,13)14)7-10(18)2-4-19-5-3-10/h8,18H,2-7H2,1H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide has a molecular weight of 283.29 g/mol, XLogP of 0.57, 5 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-[[(4-hydroxyoxan-4-yl)methyl-methylamino]methyl]propanimidamide is sourced from PubChem (CID 103370841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).