(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide

C6H9F3N2 — CID 170098117

IUPAC(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(2-5(10)11)3-6(7,8)9/h2H,3H2,1H3,(H3,10,11)/b4-2-
InChIKeyGLHMQFNBHYOJLR-RQOWECAXSA-N
MW166.15 g/mol
LogP1.82
Rot. Bonds2

About (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide

(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide (PubChem CID 170098117) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
PubChem CID170098117
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)CC(F)(F)F
InChIInChI=1S/C6H9F3N2/c1-4(2-5(10)11)3-6(7,8)9/h2H,3H2,1H3,(H3,10,11)/b4-2-
InChIKeyGLHMQFNBHYOJLR-RQOWECAXSA-N
XLogP1.82
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.82
H-Bond Donors ≤ 52
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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Related Compounds

(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide
CID 178149668
(Z)-3-methylpent-2-enimidamide;molecular hydrogen
CID 142337046
3-Ethylpent-2-enimidamide
CID 154520789
(E)-3-methylpent-2-enimidamide
CID 171838614
(Z)-3-methylpent-2-enimidamide
CID 142337047

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide?
The IUPAC name of (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide (CID 170098117) is (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide.
What is the SMILES notation for (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide?
The canonical SMILES for (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide is [H]/N=C(N)/C=C(/C)CC(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide?
The InChIKey is GLHMQFNBHYOJLR-RQOWECAXSA-N. The full InChI is InChI=1S/C6H9F3N2/c1-4(2-5(10)11)3-6(7,8)9/h2H,3H2,1H3,(H3,10,11)/b4-2-.
What are the key properties of (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide?
(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide has a molecular weight of 166.15 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide is sourced from PubChem (CID 170098117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).