N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide

C6H8ClF3N2 — CID 147925672

IUPACN-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(\N/C=C\CCl)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2/c1-11-5(6(8,9)10)12-4-2-3-7/h2,4H,3H2,1H3,(H,11,12)/b4-2-
InChIKeyIIWKGXWOXKOBFT-RQOWECAXSA-N
MW200.59 g/mol
LogP1.92
Rot. Bonds2

About N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide

N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide (PubChem CID 147925672) has the molecular formula C6H8ClF3N2 and a molecular weight of 200.59 g/mol. Its IUPAC name is N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide
PubChem CID147925672
Molecular FormulaC6H8ClF3N2
Molecular Weight200.59 g/mol
Exact Mass200.03
IUPAC NameN-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide
SMILESC/N=C(\N/C=C\CCl)C(F)(F)F
InChIInChI=1S/C6H8ClF3N2/c1-11-5(6(8,9)10)12-4-2-3-7/h2,4H,3H2,1H3,(H,11,12)/b4-2-
InChIKeyIIWKGXWOXKOBFT-RQOWECAXSA-N
XLogP1.92
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.59
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 144826412
N'-methyl-N-[(E)-3,3,3-trifluoroprop-1-enyl]carbamimidoyl chloride
CID 170129674
2-chloro-N'-methyl-N-[(Z)-prop-1-enyl]ethanimidamide
CID 153656523

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide (CID 147925672) is N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide is C/N=C(\N/C=C\CCl)C(F)(F)F.
What is the InChIKey of N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide?
The InChIKey is IIWKGXWOXKOBFT-RQOWECAXSA-N. The full InChI is InChI=1S/C6H8ClF3N2/c1-11-5(6(8,9)10)12-4-2-3-7/h2,4H,3H2,1H3,(H,11,12)/b4-2-.
What are the key properties of N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide?
N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide has a molecular weight of 200.59 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-chloroprop-1-enyl]-2,2,2-trifluoro-N'-methylethanimidamide is sourced from PubChem (CID 147925672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).