1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene

C8H10ClF — CID 90814976

IUPAC1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(F)C(C)C(Cl)=C1
InChIInChI=1S/C8H10ClF/c1-5-3-7(9)6(2)8(10)4-5/h3-4,6,8H,1-2H3
InChIKeyZQCDIQLPPULUCK-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.04
Rot. Bonds

About 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene

1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene (PubChem CID 90814976) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene
PubChem CID90814976
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene
SMILESCC1=CC(F)C(C)C(Cl)=C1
InChIInChI=1S/C8H10ClF/c1-5-3-7(9)6(2)8(10)4-5/h3-4,6,8H,1-2H3
InChIKeyZQCDIQLPPULUCK-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chlor-p-xylol
CID 70269675
1-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 17994374
1-Chloro-3-fluoro-2-methylcyclohexa-1,3-diene
CID 19097573
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
1-Chloro-3,5-bis(trifluoromethyl)cyclohexa-1,3-diene
CID 23123762
4-Chloro-5-fluoro-1-methylcyclohexa-1,3-diene
CID 66792374
(5S)-1-fluoro-3,5-dimethylcyclohexa-1,3-diene
CID 67968144
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
2-Fluoro-3-propan-2-ylcyclohexa-1,3-diene
CID 68102317
2-Ethyl-3-fluoro-5-methylcyclohexa-1,3-diene
CID 68261125
3-Fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 68261127
1-Fluoro-3,6-dimethylcyclohexa-1,3-diene
CID 68261131

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene (CID 90814976) is 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene is CC1=CC(F)C(C)C(Cl)=C1.
What is the InChIKey of 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene?
The InChIKey is ZQCDIQLPPULUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-5-3-7(9)6(2)8(10)4-5/h3-4,6,8H,1-2H3.
What are the key properties of 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene?
1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-fluoro-3,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 90814976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).