N'-(2,2-difluoroethyl)ethanimidamide

C4H8F2N2 — CID 79737108

IUPACN'-(2,2-difluoroethyl)ethanimidamide
SMILESC/C(N)=N\CC(F)F
InChIInChI=1S/C4H8F2N2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3,(H2,7,8)
InChIKeyWTTGOKMSVLNQOJ-UHFFFAOYSA-N
MW122.12 g/mol
LogP0.63
Rot. Bonds2

About N'-(2,2-difluoroethyl)ethanimidamide

N'-(2,2-difluoroethyl)ethanimidamide (PubChem CID 79737108) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)ethanimidamide
PubChem CID79737108
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC NameN'-(2,2-difluoroethyl)ethanimidamide
SMILESC/C(N)=N\CC(F)F
InChIInChI=1S/C4H8F2N2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3,(H2,7,8)
InChIKeyWTTGOKMSVLNQOJ-UHFFFAOYSA-N
XLogP0.63
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.63
H-Bond Donors ≤ 51
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 N'-(2,2-difluoroethyl)ethanimidamide?
The IUPAC name of N'-(2,2-difluoroethyl)ethanimidamide (CID 79737108) is N'-(2,2-difluoroethyl)ethanimidamide.
What is the SMILES notation for N'-(2,2-difluoroethyl)ethanimidamide?
The canonical SMILES for N'-(2,2-difluoroethyl)ethanimidamide is C/C(N)=N\CC(F)F.
What is the InChIKey of N'-(2,2-difluoroethyl)ethanimidamide?
The InChIKey is WTTGOKMSVLNQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3,(H2,7,8).
What are the key properties of N'-(2,2-difluoroethyl)ethanimidamide?
N'-(2,2-difluoroethyl)ethanimidamide has a molecular weight of 122.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)ethanimidamide is sourced from PubChem (CID 79737108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).