(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride

C12H8Cl5F3N2 — CID 58669717

IUPAC(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride
SMILESCC1(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1(Cl)Cl
InChIInChI=1S/C12H8Cl5F3N2/c1-10(4-11(10,16)17)9(15)22-21-8-6(13)2-5(3-7(8)14)12(18,19)20/h2-3,21H,4H2,1H3/b22-9-
InChIKeyWJNCEBXKBMKPDM-AFPJDJCSSA-N
MW414.47 g/mol
LogP6.56
Rot. Bonds3

About (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride

(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride (PubChem CID 58669717) has the molecular formula C12H8Cl5F3N2 and a molecular weight of 414.47 g/mol. Its IUPAC name is (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride.

Molecular Properties

Compound Name(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride
PubChem CID58669717
Molecular FormulaC12H8Cl5F3N2
Molecular Weight414.47 g/mol
Exact Mass411.91
IUPAC Name(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride
SMILESCC1(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1(Cl)Cl
InChIInChI=1S/C12H8Cl5F3N2/c1-10(4-11(10,16)17)9(15)22-21-8-6(13)2-5(3-7(8)14)12(18,19)20/h2-3,21H,4H2,1H3/b22-9-
InChIKeyWJNCEBXKBMKPDM-AFPJDJCSSA-N
XLogP6.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride?
The IUPAC name of (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride (CID 58669717) is (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride.
What is the SMILES notation for (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride?
The canonical SMILES for (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride is CC1(/C(Cl)=N/Nc2c(Cl)cc(C(F)(F)F)cc2Cl)CC1(Cl)Cl.
What is the InChIKey of (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride?
The InChIKey is WJNCEBXKBMKPDM-AFPJDJCSSA-N. The full InChI is InChI=1S/C12H8Cl5F3N2/c1-10(4-11(10,16)17)9(15)22-21-8-6(13)2-5(3-7(8)14)12(18,19)20/h2-3,21H,4H2,1H3/b22-9-.
What are the key properties of (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride?
(1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride has a molecular weight of 414.47 g/mol, XLogP of 6.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,2-dichloro-N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1-methylcyclopropane-1-carbohydrazonoyl chloride is sourced from PubChem (CID 58669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).