3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide

C8H14F3N3O — CID 103370713

IUPAC3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)4-14-2-1-5(15)3-14/h5-6,15H,1-4H2,(H3,12,13)
InChIKeyUANRPDCNDVIUIE-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.17
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide

3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide (PubChem CID 103370713) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
PubChem CID103370713
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN1CCC(O)C1)C(F)(F)F
InChIInChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)4-14-2-1-5(15)3-14/h5-6,15H,1-4H2,(H3,12,13)
InChIKeyUANRPDCNDVIUIE-UHFFFAOYSA-N
XLogP0.17
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.17
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-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide
CID 103369402
3,3,3-Trifluoro-2-[[2-hydroxypropyl(methyl)amino]methyl]propanimidamide
CID 103370707
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]propanimidamide
CID 103370812
3,3,3-Trifluoro-2-[[3-hydroxybutyl(methyl)amino]methyl]propanimidamide
CID 103370825
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]propanimidamide
CID 103370852
3,3,3-Trifluoro-2-[(3-methoxypyrrolidin-1-yl)methyl]propanimidamide
CID 103534168
2-[(3,4-Dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoropropanimidamide
CID 106669815
2-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 113862564
4-(3-Hydroxypyrrolidin-1-yl)butanimidamide
CID 62943376
3-(3-Hydroxypyrrolidin-1-yl)propanimidamide
CID 62943378
3-(3-Hydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 62943569
3-(3,4-Dihydroxypyrrolidin-1-yl)-2-methylpropanimidamide
CID 106669808

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide (CID 103370713) is 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide is [H]/N=C(\N)C(CN1CCC(O)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide?
The InChIKey is UANRPDCNDVIUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c9-8(10,11)6(7(12)13)4-14-2-1-5(15)3-14/h5-6,15H,1-4H2,(H3,12,13).
What are the key properties of 3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide?
3,3,3-trifluoro-2-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide has a molecular weight of 225.21 g/mol, XLogP of 0.17, 3 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-[(3-hydroxypyrrolidin-1-yl)methyl]propanimidamide is sourced from PubChem (CID 103370713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).