1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene

C7H6ClF — CID 135412888

IUPAC1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(F)C=C1Cl
InChIInChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4,6H,1H2
InChIKeyKJJNKRYZRUSXCN-UHFFFAOYSA-N
MW144.58 g/mol
LogP2.57
Rot. Bonds

About 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene

1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene (PubChem CID 135412888) has the molecular formula C7H6ClF and a molecular weight of 144.58 g/mol. Its IUPAC name is 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene
PubChem CID135412888
Molecular FormulaC7H6ClF
Molecular Weight144.58 g/mol
Exact Mass144.01
IUPAC Name1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CC(F)C=C1Cl
InChIInChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4,6H,1H2
InChIKeyKJJNKRYZRUSXCN-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.58
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Lithium 1-chloro-2-(trifluoromethyl)benzene-6-ide
CID 134969724
1-Chloro-3,6-dimethylidenecyclohexa-1,4-diene
CID 59959981
1-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 17994374
6-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 18457038
1-Chloro-2-fluorocyclohexa-1,3-diene
CID 20321633
5-Chloro-5-fluorocyclohexa-1,3-diene
CID 21844842
2-Chloro-1-fluorocyclohexa-1,3-diene
CID 21958886
6-Chloro-1,2,6-trifluorocyclohexa-1,3-diene
CID 21975987
1-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22041196
5-Chloro-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 22498002
1-Chloro-5-fluorocyclohexa-1,3-diene
CID 22618260
1-Chloro-3-fluorocyclohexa-1,4-diene
CID 57073707

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene (CID 135412888) is 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene is C=C1C=CC(F)C=C1Cl.
What is the InChIKey of 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene?
The InChIKey is KJJNKRYZRUSXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF/c1-5-2-3-6(9)4-7(5)8/h2-4,6H,1H2.
What are the key properties of 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene?
1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene has a molecular weight of 144.58 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 135412888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).