3,3-difluoropropanimidamide

C3H6F2N2 — CID 60921770

IUPAC3,3-difluoropropanimidamide
SMILES[H]/N=C(\N)CC(F)F
InChIInChI=1S/C3H6F2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7)
InChIKeyPQXOVQOVAHNJHX-UHFFFAOYSA-N
MW108.09 g/mol
LogP0.58
Rot. Bonds2

About 3,3-difluoropropanimidamide

3,3-difluoropropanimidamide (PubChem CID 60921770) has the molecular formula C3H6F2N2 and a molecular weight of 108.09 g/mol. Its IUPAC name is 3,3-difluoropropanimidamide.

Molecular Properties

Compound Name3,3-difluoropropanimidamide
PubChem CID60921770
Molecular FormulaC3H6F2N2
Molecular Weight108.09 g/mol
Exact Mass108.05
IUPAC Name3,3-difluoropropanimidamide
SMILES[H]/N=C(\N)CC(F)F
InChIInChI=1S/C3H6F2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7)
InChIKeyPQXOVQOVAHNJHX-UHFFFAOYSA-N
XLogP0.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 50.58
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
3,3,3-Trifluoropropanimidamide
CID 18511209
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

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropropanimidamide?
The IUPAC name of 3,3-difluoropropanimidamide (CID 60921770) is 3,3-difluoropropanimidamide.
What is the SMILES notation for 3,3-difluoropropanimidamide?
The canonical SMILES for 3,3-difluoropropanimidamide is [H]/N=C(\N)CC(F)F.
What is the InChIKey of 3,3-difluoropropanimidamide?
The InChIKey is PQXOVQOVAHNJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2N2/c4-2(5)1-3(6)7/h2H,1H2,(H3,6,7).
What are the key properties of 3,3-difluoropropanimidamide?
3,3-difluoropropanimidamide has a molecular weight of 108.09 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropanimidamide is sourced from PubChem (CID 60921770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).