N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide

C5H6ClF3N2 — CID 134987450

IUPACN'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide
SMILESC/C=C(Cl)/N=C(/N)C(F)(F)F
InChIInChI=1S/C5H6ClF3N2/c1-2-3(6)11-4(10)5(7,8)9/h2H,1H3,(H2,10,11)/b3-2+
InChIKeyQDUQBGVTYVLFGB-NSCUHMNNSA-N
MW186.56 g/mol
LogP2.01
Rot. Bonds1

About N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide

N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide (PubChem CID 134987450) has the molecular formula C5H6ClF3N2 and a molecular weight of 186.56 g/mol. Its IUPAC name is N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide
PubChem CID134987450
Molecular FormulaC5H6ClF3N2
Molecular Weight186.56 g/mol
Exact Mass186.02
IUPAC NameN'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide
SMILESC/C=C(Cl)/N=C(/N)C(F)(F)F
InChIInChI=1S/C5H6ClF3N2/c1-2-3(6)11-4(10)5(7,8)9/h2H,1H3,(H2,10,11)/b3-2+
InChIKeyQDUQBGVTYVLFGB-NSCUHMNNSA-N
XLogP2.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.56
LogP ≤ 52.01
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide (CID 134987450) is N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide is C/C=C(Cl)/N=C(/N)C(F)(F)F.
What is the InChIKey of N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide?
The InChIKey is QDUQBGVTYVLFGB-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H6ClF3N2/c1-2-3(6)11-4(10)5(7,8)9/h2H,1H3,(H2,10,11)/b3-2+.
What are the key properties of N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide?
N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide has a molecular weight of 186.56 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-chloroprop-1-enyl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 134987450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).