2,2,3-trifluoropropanimidamide

C3H5F3N2 — CID 169099484

IUPAC2,2,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(F)(F)CF
InChIInChI=1S/C3H5F3N2/c4-1-3(5,6)2(7)8/h1H2,(H3,7,8)
InChIKeyMODMXBJBARSFTA-UHFFFAOYSA-N
MW126.08 g/mol
LogP0.53
Rot. Bonds2

About 2,2,3-trifluoropropanimidamide

2,2,3-trifluoropropanimidamide (PubChem CID 169099484) has the molecular formula C3H5F3N2 and a molecular weight of 126.08 g/mol. Its IUPAC name is 2,2,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2,2,3-trifluoropropanimidamide
PubChem CID169099484
Molecular FormulaC3H5F3N2
Molecular Weight126.08 g/mol
Exact Mass126.04
IUPAC Name2,2,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(F)(F)CF
InChIInChI=1S/C3H5F3N2/c4-1-3(5,6)2(7)8/h1H2,(H3,7,8)
InChIKeyMODMXBJBARSFTA-UHFFFAOYSA-N
XLogP0.53
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 2,2,3-trifluoropropanimidamide?
The IUPAC name of 2,2,3-trifluoropropanimidamide (CID 169099484) is 2,2,3-trifluoropropanimidamide.
What is the SMILES notation for 2,2,3-trifluoropropanimidamide?
The canonical SMILES for 2,2,3-trifluoropropanimidamide is [H]/N=C(\N)C(F)(F)CF.
What is the InChIKey of 2,2,3-trifluoropropanimidamide?
The InChIKey is MODMXBJBARSFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2/c4-1-3(5,6)2(7)8/h1H2,(H3,7,8).
What are the key properties of 2,2,3-trifluoropropanimidamide?
2,2,3-trifluoropropanimidamide has a molecular weight of 126.08 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoropropanimidamide is sourced from PubChem (CID 169099484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).