4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride

C10H4Cl3F4N — CID 12689506

IUPAC4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride
SMILESFC(F)=C(/N=C(\Cl)c1ccc(Cl)cc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl3F4N/c11-6-3-1-5(2-4-6)8(12)18-7(9(14)15)10(13,16)17/h1-4H/b18-8-
InChIKeyIFMRCIPOSOYHBM-LSCVHKIXSA-N
MW320.50 g/mol
LogP5.27
Rot. Bonds3

About 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride

4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride (PubChem CID 12689506) has the molecular formula C10H4Cl3F4N and a molecular weight of 320.50 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride
PubChem CID12689506
Molecular FormulaC10H4Cl3F4N
Molecular Weight320.50 g/mol
Exact Mass318.93
IUPAC Name4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride
SMILESFC(F)=C(/N=C(\Cl)c1ccc(Cl)cc1)C(F)(F)Cl
InChIInChI=1S/C10H4Cl3F4N/c11-6-3-1-5(2-4-6)8(12)18-7(9(14)15)10(13,16)17/h1-4H/b18-8-
InChIKeyIFMRCIPOSOYHBM-LSCVHKIXSA-N
XLogP5.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride?
The IUPAC name of 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride (CID 12689506) is 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride.
What is the SMILES notation for 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride?
The canonical SMILES for 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride is FC(F)=C(/N=C(\Cl)c1ccc(Cl)cc1)C(F)(F)Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride?
The InChIKey is IFMRCIPOSOYHBM-LSCVHKIXSA-N. The full InChI is InChI=1S/C10H4Cl3F4N/c11-6-3-1-5(2-4-6)8(12)18-7(9(14)15)10(13,16)17/h1-4H/b18-8-.
What are the key properties of 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride?
4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride has a molecular weight of 320.50 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-1,1,3,3-tetrafluoroprop-1-en-2-yl)benzenecarboximidoyl chloride is sourced from PubChem (CID 12689506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).