2,2-difluoroethanimidamide fluoride

C2H4F3N2- — CID 159669726

IUPAC2,2-difluoroethanimidamide fluoride
SMILES[F-].[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2.FH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H/p-1
InChIKeyMTVRFBGZFGJSKQ-UHFFFAOYSA-M
MW113.06 g/mol
LogP-2.81
Rot. Bonds1

About 2,2-difluoroethanimidamide fluoride

2,2-difluoroethanimidamide fluoride (PubChem CID 159669726) has the molecular formula C2H4F3N2- and a molecular weight of 113.06 g/mol. Its IUPAC name is 2,2-difluoroethanimidamide fluoride.

Molecular Properties

Compound Name2,2-difluoroethanimidamide fluoride
PubChem CID159669726
Molecular FormulaC2H4F3N2-
Molecular Weight113.06 g/mol
Exact Mass113.03
IUPAC Name2,2-difluoroethanimidamide fluoride
SMILES[F-].[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2.FH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H/p-1
InChIKeyMTVRFBGZFGJSKQ-UHFFFAOYSA-M
XLogP-2.81
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.06
LogP ≤ 5-2.81
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-difluoroethanimidamide fluoride?
The IUPAC name of 2,2-difluoroethanimidamide fluoride (CID 159669726) is 2,2-difluoroethanimidamide fluoride.
What is the SMILES notation for 2,2-difluoroethanimidamide fluoride?
The canonical SMILES for 2,2-difluoroethanimidamide fluoride is [F-].[H]/N=C(\N)C(F)F.
What is the InChIKey of 2,2-difluoroethanimidamide fluoride?
The InChIKey is MTVRFBGZFGJSKQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2N2.FH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H/p-1.
What are the key properties of 2,2-difluoroethanimidamide fluoride?
2,2-difluoroethanimidamide fluoride has a molecular weight of 113.06 g/mol, XLogP of -2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanimidamide fluoride is sourced from PubChem (CID 159669726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).