2,2-difluoroethanimidamide;hydrochloride

C2H5ClF2N2 — CID 87210129

IUPAC2,2-difluoroethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2.ClH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H
InChIKeyUPJHUXDERWZSGK-UHFFFAOYSA-N
MW130.53 g/mol
LogP0.61
Rot. Bonds1

About 2,2-difluoroethanimidamide;hydrochloride

2,2-difluoroethanimidamide;hydrochloride (PubChem CID 87210129) has the molecular formula C2H5ClF2N2 and a molecular weight of 130.53 g/mol. Its IUPAC name is 2,2-difluoroethanimidamide;hydrochloride.

Molecular Properties

Compound Name2,2-difluoroethanimidamide;hydrochloride
PubChem CID87210129
Molecular FormulaC2H5ClF2N2
Molecular Weight130.53 g/mol
Exact Mass130.01
IUPAC Name2,2-difluoroethanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(F)F
InChIInChI=1S/C2H4F2N2.ClH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H
InChIKeyUPJHUXDERWZSGK-UHFFFAOYSA-N
XLogP0.61
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.53
LogP ≤ 50.61
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;hydrochloride?
The IUPAC name of 2,2-difluoroethanimidamide;hydrochloride (CID 87210129) is 2,2-difluoroethanimidamide;hydrochloride.
What is the SMILES notation for 2,2-difluoroethanimidamide;hydrochloride?
The canonical SMILES for 2,2-difluoroethanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(F)F.
What is the InChIKey of 2,2-difluoroethanimidamide;hydrochloride?
The InChIKey is UPJHUXDERWZSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2N2.ClH/c3-1(4)2(5)6;/h1H,(H3,5,6);1H.
What are the key properties of 2,2-difluoroethanimidamide;hydrochloride?
2,2-difluoroethanimidamide;hydrochloride has a molecular weight of 130.53 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethanimidamide;hydrochloride is sourced from PubChem (CID 87210129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).