1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene

C8H10ClF — CID 123638268

IUPAC1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)=C(Cl)C(F)C1
InChIInChI=1S/C8H10ClF/c1-5-3-6(2)8(9)7(10)4-5/h3,7H,4H2,1-2H3
InChIKeyUMIAFUDRIMMWTE-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.19
Rot. Bonds

About 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene

1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene (PubChem CID 123638268) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
PubChem CID123638268
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(C)=C(Cl)C(F)C1
InChIInChI=1S/C8H10ClF/c1-5-3-6(2)8(9)7(10)4-5/h3,7H,4H2,1-2H3
InChIKeyUMIAFUDRIMMWTE-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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene (CID 123638268) is 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene is CC1=CC(C)=C(Cl)C(F)C1.
What is the InChIKey of 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene?
The InChIKey is UMIAFUDRIMMWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-5-3-6(2)8(9)7(10)4-5/h3,7H,4H2,1-2H3.
What are the key properties of 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene?
1-chloro-6-fluoro-2,4-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 1-chloro-6-fluoro-2,4-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 123638268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).