(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane

C10H14BrCl3 — CID 5469804

IUPAC(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane
SMILESCC1(C)C(Cl)CC(Br)/C(=C\CCl)C1Cl
InChIInChI=1S/C10H14BrCl3/c1-10(2)8(13)5-7(11)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+
InChIKeyLYWCAYROTMXQAJ-ZZXKWVIFSA-N
MW320.49 g/mol
LogP4.56
Rot. Bonds1

About (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane

(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane (PubChem CID 5469804) has the molecular formula C10H14BrCl3 and a molecular weight of 320.49 g/mol. Its IUPAC name is (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane.

Molecular Properties

Compound Name(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane
PubChem CID5469804
Molecular FormulaC10H14BrCl3
Molecular Weight320.49 g/mol
Exact Mass317.93
IUPAC Name(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane
SMILESCC1(C)C(Cl)CC(Br)/C(=C\CCl)C1Cl
InChIInChI=1S/C10H14BrCl3/c1-10(2)8(13)5-7(11)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+
InChIKeyLYWCAYROTMXQAJ-ZZXKWVIFSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane?
The IUPAC name of (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane (CID 5469804) is (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane.
What is the SMILES notation for (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane?
The canonical SMILES for (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane is CC1(C)C(Cl)CC(Br)/C(=C\CCl)C1Cl.
What is the InChIKey of (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane?
The InChIKey is LYWCAYROTMXQAJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C10H14BrCl3/c1-10(2)8(13)5-7(11)6(3-4-12)9(10)14/h3,7-9H,4-5H2,1-2H3/b6-3+.
What are the key properties of (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane?
(3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane has a molecular weight of 320.49 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-bromo-2,6-dichloro-3-(2-chloroethylidene)-1,1-dimethylcyclohexane is sourced from PubChem (CID 5469804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).