(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane

C9H11ClF2N2 — CID 176569325

IUPAC(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
SMILESCC.N/N=C/c1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H5ClF2N2.C2H6/c8-6-5(9)2-1-4(3-12-11)7(6)10;1-2/h1-3H,11H2;1-2H3/b12-3+;
InChIKeyPMPMNAUCQPIEHO-QXKVDVGOSA-N
MW220.65 g/mol
LogP2.94
Rot. Bonds1

About (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane

(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane (PubChem CID 176569325) has the molecular formula C9H11ClF2N2 and a molecular weight of 220.65 g/mol. Its IUPAC name is (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane.

Molecular Properties

Compound Name(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
PubChem CID176569325
Molecular FormulaC9H11ClF2N2
Molecular Weight220.65 g/mol
Exact Mass220.06
IUPAC Name(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane
SMILESCC.N/N=C/c1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H5ClF2N2.C2H6/c8-6-5(9)2-1-4(3-12-11)7(6)10;1-2/h1-3H,11H2;1-2H3/b12-3+;
InChIKeyPMPMNAUCQPIEHO-QXKVDVGOSA-N
XLogP2.94
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane?
The IUPAC name of (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane (CID 176569325) is (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane.
What is the SMILES notation for (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane?
The canonical SMILES for (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane is CC.N/N=C/c1ccc(F)c(Cl)c1F.
What is the InChIKey of (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane?
The InChIKey is PMPMNAUCQPIEHO-QXKVDVGOSA-N. The full InChI is InChI=1S/C7H5ClF2N2.C2H6/c8-6-5(9)2-1-4(3-12-11)7(6)10;1-2/h1-3H,11H2;1-2H3/b12-3+;.
What are the key properties of (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane?
(E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane has a molecular weight of 220.65 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(3-chloro-2,4-difluorophenyl)methylidenehydrazine;ethane is sourced from PubChem (CID 176569325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).