2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane

C9H10Cl2FN — CID 144888126

IUPAC2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane
SMILESCC.[H]/N=C1/C(=C)C(Cl)=CC(F)=C1Cl
InChIInChI=1S/C7H4Cl2FN.C2H6/c1-3-4(8)2-5(10)6(9)7(3)11;1-2/h2,11H,1H2;1-2H3/b11-7-;
InChIKeyNPMBQJSQPMVUBR-AJULUCINSA-N
MW222.09 g/mol
LogP4.14
Rot. Bonds

About 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane

2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane (PubChem CID 144888126) has the molecular formula C9H10Cl2FN and a molecular weight of 222.09 g/mol. Its IUPAC name is 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane.

Molecular Properties

Compound Name2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane
PubChem CID144888126
Molecular FormulaC9H10Cl2FN
Molecular Weight222.09 g/mol
Exact Mass221.02
IUPAC Name2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane
SMILESCC.[H]/N=C1/C(=C)C(Cl)=CC(F)=C1Cl
InChIInChI=1S/C7H4Cl2FN.C2H6/c1-3-4(8)2-5(10)6(9)7(3)11;1-2/h2,11H,1H2;1-2H3/b11-7-;
InChIKeyNPMBQJSQPMVUBR-AJULUCINSA-N
XLogP4.14
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane?
The IUPAC name of 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane (CID 144888126) is 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane.
What is the SMILES notation for 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane?
The canonical SMILES for 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane is CC.[H]/N=C1/C(=C)C(Cl)=CC(F)=C1Cl.
What is the InChIKey of 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane?
The InChIKey is NPMBQJSQPMVUBR-AJULUCINSA-N. The full InChI is InChI=1S/C7H4Cl2FN.C2H6/c1-3-4(8)2-5(10)6(9)7(3)11;1-2/h2,11H,1H2;1-2H3/b11-7-;.
What are the key properties of 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane?
2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane has a molecular weight of 222.09 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine;ethane is sourced from PubChem (CID 144888126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).