3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide

C9H16F3N3O2 — CID 103370834

IUPAC3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1CO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7(8(13)14)3-15-1-2-17-5-6(15)4-16/h6-7,16H,1-5H2,(H3,13,14)
InChIKeyMBZSDDKBVQANEN-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.21
Rot. Bonds4

About 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide

3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide (PubChem CID 103370834) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
PubChem CID103370834
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCOCC1CO)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c10-9(11,12)7(8(13)14)3-15-1-2-17-5-6(15)4-16/h6-7,16H,1-5H2,(H3,13,14)
InChIKeyMBZSDDKBVQANEN-UHFFFAOYSA-N
XLogP-0.21
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.21
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]morpholin-3-yl]methanol
CID 103366472
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103369257
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369270
3,3,3-trifluoro-N'-hydroxy-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370219
3,3,3-Trifluoro-2-(morpholin-4-ylmethyl)propanimidamide
CID 103370523
3,3,3-Trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propanimidamide
CID 103370582
2-[(2,5-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370583
2-[(3-Ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370593
2-[(3,3-Dimethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 103370629
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide
CID 103370803
3,3,3-Trifluoro-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]propanimidamide
CID 103370804
3,3,3-Trifluoro-2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]propanimidamide
CID 103370821

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide (CID 103370834) is 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide is [H]/N=C(\N)C(CN1CCOCC1CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
The InChIKey is MBZSDDKBVQANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c10-9(11,12)7(8(13)14)3-15-1-2-17-5-6(15)4-16/h6-7,16H,1-5H2,(H3,13,14).
What are the key properties of 3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide?
3,3,3-trifluoro-2-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide has a molecular weight of 255.24 g/mol, XLogP of -0.21, 4 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-[[3-(hydroxymethyl)morpholin-4-yl]methyl]propanimidamide is sourced from PubChem (CID 103370834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).