(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide

C6H8F3N3 — CID 178149668

IUPAC(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide
SMILES[H]/N=C(N)/C(C)=C\C(=N\[H])C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-3(5(11)12)2-4(10)6(7,8)9/h2,10H,1H3,(H3,11,12)/b3-2-,10-4-
InChIKeyQAFNCLYBUGNRKB-AHYMPWADSA-N
MW179.15 g/mol
LogP1.45
Rot. Bonds2

About (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide

(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide (PubChem CID 178149668) has the molecular formula C6H8F3N3 and a molecular weight of 179.15 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide
PubChem CID178149668
Molecular FormulaC6H8F3N3
Molecular Weight179.15 g/mol
Exact Mass179.07
IUPAC Name(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide
SMILES[H]/N=C(N)/C(C)=C\C(=N\[H])C(F)(F)F
InChIInChI=1S/C6H8F3N3/c1-3(5(11)12)2-4(10)6(7,8)9/h2,10H,1H3,(H3,11,12)/b3-2-,10-4-
InChIKeyQAFNCLYBUGNRKB-AHYMPWADSA-N
XLogP1.45
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

5-(Difluoromethyl)-2,4-dimethylpyrrol-2-amine
CID 89270954
(2E)-2-methyl-4-(trifluoromethyl)penta-2,4-dienimidamide
CID 135254439
(E)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 139435452
(Z)-1,1,1-trifluoro-4-methylhex-3-ene-2,5-diimine
CID 145206456
(Z)-5,5,5-trifluoro-3-methylpent-2-enimidamide
CID 170098117
1-[(E)-3-(trifluoromethyl)pent-3-en-2-ylidene]guanidine
CID 173569854

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide?
The IUPAC name of (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide (CID 178149668) is (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide is [H]/N=C(N)/C(C)=C\C(=N\[H])C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide?
The InChIKey is QAFNCLYBUGNRKB-AHYMPWADSA-N. The full InChI is InChI=1S/C6H8F3N3/c1-3(5(11)12)2-4(10)6(7,8)9/h2,10H,1H3,(H3,11,12)/b3-2-,10-4-.
What are the key properties of (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide?
(Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide has a molecular weight of 179.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-imino-2-methylpent-2-enimidamide is sourced from PubChem (CID 178149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).