6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene

C8H10ClF — CID 141455513

IUPAC6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(Cl)C(F)=C1
InChIInChI=1S/C8H10ClF/c1-6-3-4-8(2,9)7(10)5-6/h3,5H,4H2,1-2H3
InChIKeyUHQCTMACYZPBPZ-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.19
Rot. Bonds

About 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene

6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene (PubChem CID 141455513) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene
PubChem CID141455513
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CCC(C)(Cl)C(F)=C1
InChIInChI=1S/C8H10ClF/c1-6-3-4-8(2,9)7(10)5-6/h3,5H,4H2,1-2H3
InChIKeyUHQCTMACYZPBPZ-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene (CID 141455513) is 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene is CC1=CCC(C)(Cl)C(F)=C1.
What is the InChIKey of 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The InChIKey is UHQCTMACYZPBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-6-3-4-8(2,9)7(10)5-6/h3,5H,4H2,1-2H3.
What are the key properties of 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene?
6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-fluoro-3,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 141455513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).