N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide

C7H11F3N2 — CID 154964899

IUPACN'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide
SMILESCC(C)/C=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)3-6(12-4-11)7(8,9)10/h3-5H,1-2H3,(H2,11,12)/b6-3-
InChIKeyRSBKGROCCHEFKQ-UTCJRWHESA-N
MW180.17 g/mol
LogP2.08
Rot. Bonds2

About N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide

N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide (PubChem CID 154964899) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide
PubChem CID154964899
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC NameN'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide
SMILESCC(C)/C=C(\N=C\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)3-6(12-4-11)7(8,9)10/h3-5H,1-2H3,(H2,11,12)/b6-3-
InChIKeyRSBKGROCCHEFKQ-UTCJRWHESA-N
XLogP2.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3Z,5E)-2-methyl-5-(trifluoromethyl)hepta-3,5-dien-3-yl]methanimidamide
CID 146203764
N'-[(Z)-1,1,1-trifluoropent-2-en-2-yl]methanimidamide
CID 163657041
N'-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
CID 146640576

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide (CID 154964899) is N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide is CC(C)/C=C(\N=C\N)C(F)(F)F.
What is the InChIKey of N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide?
The InChIKey is RSBKGROCCHEFKQ-UTCJRWHESA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)3-6(12-4-11)7(8,9)10/h3-5H,1-2H3,(H2,11,12)/b6-3-.
What are the key properties of N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide?
N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide has a molecular weight of 180.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1,1,1-trifluoro-4-methylpent-2-en-2-yl]methanimidamide is sourced from PubChem (CID 154964899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).