N'-(4,4-difluorobutan-2-yl)ethanimidamide

C6H12F2N2 — CID 131134560

IUPACN'-(4,4-difluorobutan-2-yl)ethanimidamide
SMILESC/C(N)=N\C(C)CC(F)F
InChIInChI=1S/C6H12F2N2/c1-4(3-6(7)8)10-5(2)9/h4,6H,3H2,1-2H3,(H2,9,10)
InChIKeyJRDIKHRTOZDBLF-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.41
Rot. Bonds3

About N'-(4,4-difluorobutan-2-yl)ethanimidamide

N'-(4,4-difluorobutan-2-yl)ethanimidamide (PubChem CID 131134560) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is N'-(4,4-difluorobutan-2-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(4,4-difluorobutan-2-yl)ethanimidamide
PubChem CID131134560
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC NameN'-(4,4-difluorobutan-2-yl)ethanimidamide
SMILESC/C(N)=N\C(C)CC(F)F
InChIInChI=1S/C6H12F2N2/c1-4(3-6(7)8)10-5(2)9/h4,6H,3H2,1-2H3,(H2,9,10)
InChIKeyJRDIKHRTOZDBLF-UHFFFAOYSA-N
XLogP1.41
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.41
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'-(4,4-difluorobutan-2-yl)ethanimidamide?
The IUPAC name of N'-(4,4-difluorobutan-2-yl)ethanimidamide (CID 131134560) is N'-(4,4-difluorobutan-2-yl)ethanimidamide.
What is the SMILES notation for N'-(4,4-difluorobutan-2-yl)ethanimidamide?
The canonical SMILES for N'-(4,4-difluorobutan-2-yl)ethanimidamide is C/C(N)=N\C(C)CC(F)F.
What is the InChIKey of N'-(4,4-difluorobutan-2-yl)ethanimidamide?
The InChIKey is JRDIKHRTOZDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(3-6(7)8)10-5(2)9/h4,6H,3H2,1-2H3,(H2,9,10).
What are the key properties of N'-(4,4-difluorobutan-2-yl)ethanimidamide?
N'-(4,4-difluorobutan-2-yl)ethanimidamide has a molecular weight of 150.17 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-difluorobutan-2-yl)ethanimidamide is sourced from PubChem (CID 131134560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).