3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide

C4H7F3N2O — CID 103370983

IUPAC3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(CO)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c5-4(6,7)2(1-10)3(8)9/h2,10H,1H2,(H3,8,9)
InChIKeySODGWEDCNYTKBQ-UHFFFAOYSA-N
MW156.11 g/mol
LogP0.09
Rot. Bonds2

About 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide

3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide (PubChem CID 103370983) has the molecular formula C4H7F3N2O and a molecular weight of 156.11 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide
PubChem CID103370983
Molecular FormulaC4H7F3N2O
Molecular Weight156.11 g/mol
Exact Mass156.05
IUPAC Name3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide
SMILES[H]/N=C(\N)C(CO)C(F)(F)F
InChIInChI=1S/C4H7F3N2O/c5-4(6,7)2(1-10)3(8)9/h2,10H,1H2,(H3,8,9)
InChIKeySODGWEDCNYTKBQ-UHFFFAOYSA-N
XLogP0.09
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide (CID 103370983) is 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide is [H]/N=C(\N)C(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide?
The InChIKey is SODGWEDCNYTKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O/c5-4(6,7)2(1-10)3(8)9/h2,10H,1H2,(H3,8,9).
What are the key properties of 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide?
3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide has a molecular weight of 156.11 g/mol, XLogP of 0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(hydroxymethyl)propanimidamide is sourced from PubChem (CID 103370983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).