(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide

C7H8F5N3 — CID 146489205

IUPAC(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide
SMILESC=N/C(=C\C(N)=N\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5N3/c1-14-4(3-5(13)15-2)6(8,9)7(10,11)12/h3H,1H2,2H3,(H2,13,15)/b4-3-
InChIKeyFTYOQUOUSCJJGP-ARJAWSKDSA-N
MW229.15 g/mol
LogP1.76
Rot. Bonds3

About (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide

(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide (PubChem CID 146489205) has the molecular formula C7H8F5N3 and a molecular weight of 229.15 g/mol. Its IUPAC name is (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide
PubChem CID146489205
Molecular FormulaC7H8F5N3
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide
SMILESC=N/C(=C\C(N)=N\C)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5N3/c1-14-4(3-5(13)15-2)6(8,9)7(10,11)12/h3H,1H2,2H3,(H2,13,15)/b4-3-
InChIKeyFTYOQUOUSCJJGP-ARJAWSKDSA-N
XLogP1.76
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-4,4,4-trifluoro-N'-methylbut-2-enimidamide
CID 149522520
2,2-difluoro-N'-[(3E)-3-fluorohexa-1,3-dien-2-yl]ethanimidamide
CID 154932669
3-amino-N'-(2,2-difluoroethyl)-N-methylidenebut-2-enimidamide
CID 173551921
3-amino-5,5,5-trifluoro-N',4,4-trimethylpent-2-enimidamide
CID 173833049

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide?
The IUPAC name of (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide (CID 146489205) is (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide.
What is the SMILES notation for (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide?
The canonical SMILES for (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide is C=N/C(=C\C(N)=N\C)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide?
The InChIKey is FTYOQUOUSCJJGP-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8F5N3/c1-14-4(3-5(13)15-2)6(8,9)7(10,11)12/h3H,1H2,2H3,(H2,13,15)/b4-3-.
What are the key properties of (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide?
(Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide has a molecular weight of 229.15 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,5,5,5-pentafluoro-N'-methyl-3-(methylideneamino)pent-2-enimidamide is sourced from PubChem (CID 146489205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).