3,3,3-trifluoropropanimidamide

C3H5F3N2 — CID 18511209

IUPAC3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)CC(F)(F)F
InChIInChI=1S/C3H5F3N2/c4-3(5,6)1-2(7)8/h1H2,(H3,7,8)
InChIKeyHCWWJFASZVJTOM-UHFFFAOYSA-N
MW126.08 g/mol
LogP0.87
Rot. Bonds1

About 3,3,3-trifluoropropanimidamide

3,3,3-trifluoropropanimidamide (PubChem CID 18511209) has the molecular formula C3H5F3N2 and a molecular weight of 126.08 g/mol. Its IUPAC name is 3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoropropanimidamide
PubChem CID18511209
Molecular FormulaC3H5F3N2
Molecular Weight126.08 g/mol
Exact Mass126.04
IUPAC Name3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)CC(F)(F)F
InChIInChI=1S/C3H5F3N2/c4-3(5,6)1-2(7)8/h1H2,(H3,7,8)
InChIKeyHCWWJFASZVJTOM-UHFFFAOYSA-N
XLogP0.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 50.87
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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Related Compounds

3,3,3-Trifluoropropanimidamide hydrochloride
CID 44607844
4,4,4-Trifluorobutanimidamide hydrochloride
CID 71758218
2,2-Difluoroethanimidamide hydrochloride
CID 87210129
4,4,4-Trifluorobutanimidamide
CID 20132303
2,2-Difluoroacetimidamide
CID 26597148
2,2-Difluoropropanimidamide
CID 54521258
3-Fluoropropanimidamide
CID 80698156
3,3,3-Trifluoro-2-methylpropanimidamide
CID 83681781
4,4-Difluorobutanimidamide
CID 84731068
2-Fluoropropanimidamide
CID 115011027
3,3,4,4,4-Pentafluorobutanimidamide
CID 131072941
2,2,3-Trifluoropropanimidamide
CID 169099484

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoropropanimidamide?
The IUPAC name of 3,3,3-trifluoropropanimidamide (CID 18511209) is 3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 3,3,3-trifluoropropanimidamide?
The canonical SMILES for 3,3,3-trifluoropropanimidamide is [H]/N=C(\N)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoropropanimidamide?
The InChIKey is HCWWJFASZVJTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3N2/c4-3(5,6)1-2(7)8/h1H2,(H3,7,8).
What are the key properties of 3,3,3-trifluoropropanimidamide?
3,3,3-trifluoropropanimidamide has a molecular weight of 126.08 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 18511209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).