N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide

C5H6F4N2 — CID 139563744

IUPACN'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)F)C(F)(F)F
InChIInChI=1S/C5H6F4N2/c1-3-10-4(11(2)9)5(6,7)8/h3H,1H2,2H3/b10-4-
InChIKeyJEBIXHUIKHLNDM-WMZJFQQLSA-N
MW170.11 g/mol
LogP1.91
Rot. Bonds1

About N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide

N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide (PubChem CID 139563744) has the molecular formula C5H6F4N2 and a molecular weight of 170.11 g/mol. Its IUPAC name is N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide
PubChem CID139563744
Molecular FormulaC5H6F4N2
Molecular Weight170.11 g/mol
Exact Mass170.05
IUPAC NameN'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide
SMILESC=C/N=C(\N(C)F)C(F)(F)F
InChIInChI=1S/C5H6F4N2/c1-3-10-4(11(2)9)5(6,7)8/h3H,1H2,2H3/b10-4-
InChIKeyJEBIXHUIKHLNDM-WMZJFQQLSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide?
The IUPAC name of N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide (CID 139563744) is N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide.
What is the SMILES notation for N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide?
The canonical SMILES for N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide is C=C/N=C(\N(C)F)C(F)(F)F.
What is the InChIKey of N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide?
The InChIKey is JEBIXHUIKHLNDM-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H6F4N2/c1-3-10-4(11(2)9)5(6,7)8/h3H,1H2,2H3/b10-4-.
What are the key properties of N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide?
N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide has a molecular weight of 170.11 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N,2,2,2-tetrafluoro-N-methylethanimidamide is sourced from PubChem (CID 139563744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).