1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene

C8H10ClF — CID 146388293

IUPAC1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene
SMILESCCC1C=C(F)C=C(Cl)C1
InChIInChI=1S/C8H10ClF/c1-2-6-3-7(9)5-8(10)4-6/h4-6H,2-3H2,1H3
InChIKeyUXCHKJOMAFWJJP-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.39
Rot. Bonds1

About 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene

1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene (PubChem CID 146388293) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene
PubChem CID146388293
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene
SMILESCCC1C=C(F)C=C(Cl)C1
InChIInChI=1S/C8H10ClF/c1-2-6-3-7(9)5-8(10)4-6/h4-6H,2-3H2,1H3
InChIKeyUXCHKJOMAFWJJP-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chlorophenylethane
CID 20269703
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
4-Chloro-5-fluoro-1-methylcyclohexa-1,3-diene
CID 66792374
4-Chloro-5-fluoro-1,5-dimethylcyclohexa-1,3-diene
CID 68396100
1-Chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69945909
1-Chloro-5-ethyl-2-fluorocyclohexa-1,3-diene
CID 69946131
(5S)-1-chloro-4-fluoro-5-methylcyclohexa-1,3-diene
CID 70326523
6-Chloro-3-fluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 70355974
5-Chloro-5-fluoro-6-methylcyclohexa-1,3-diene
CID 70365102
6-Chloro-6-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 70484837
1-Chloro-3-(1,1-difluoroethyl)-6-propan-2-ylcyclohexa-1,3-diene
CID 70841603

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene (CID 146388293) is 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene is CCC1C=C(F)C=C(Cl)C1.
What is the InChIKey of 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene?
The InChIKey is UXCHKJOMAFWJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-3-7(9)5-8(10)4-6/h4-6H,2-3H2,1H3.
What are the key properties of 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene?
1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethyl-3-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 146388293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).