2,2-difluoro-N,N-dimethylethenamine

C4H7F2N — CID 138659399

IUPAC2,2-difluoro-N,N-dimethylethenamine
SMILESCN(C)C=C(F)F
InChIInChI=1S/C4H7F2N/c1-7(2)3-4(5)6/h3H,1-2H3
InChIKeyXYJLAIYBGOEBNT-UHFFFAOYSA-N
MW107.10 g/mol
LogP1.29
Rot. Bonds1

About 2,2-difluoro-N,N-dimethylethenamine

2,2-difluoro-N,N-dimethylethenamine (PubChem CID 138659399) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 2,2-difluoro-N,N-dimethylethenamine.

Molecular Properties

Compound Name2,2-difluoro-N,N-dimethylethenamine
PubChem CID138659399
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name2,2-difluoro-N,N-dimethylethenamine
SMILESCN(C)C=C(F)F
InChIInChI=1S/C4H7F2N/c1-7(2)3-4(5)6/h3H,1-2H3
InChIKeyXYJLAIYBGOEBNT-UHFFFAOYSA-N
XLogP1.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-dimethylethenamine?
The IUPAC name of 2,2-difluoro-N,N-dimethylethenamine (CID 138659399) is 2,2-difluoro-N,N-dimethylethenamine.
What is the SMILES notation for 2,2-difluoro-N,N-dimethylethenamine?
The canonical SMILES for 2,2-difluoro-N,N-dimethylethenamine is CN(C)C=C(F)F.
What is the InChIKey of 2,2-difluoro-N,N-dimethylethenamine?
The InChIKey is XYJLAIYBGOEBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c1-7(2)3-4(5)6/h3H,1-2H3.
What are the key properties of 2,2-difluoro-N,N-dimethylethenamine?
2,2-difluoro-N,N-dimethylethenamine has a molecular weight of 107.10 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-dimethylethenamine is sourced from PubChem (CID 138659399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).