2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene

C8H10ClF — CID 89221400

IUPAC2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene
SMILESCCC1=CC(Cl)=C(F)CC1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-8(10)7(9)5-6/h5H,2-4H2,1H3
InChIKeyRPHDYOLYJYIZDI-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.54
Rot. Bonds1

About 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene

2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene (PubChem CID 89221400) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene
PubChem CID89221400
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene
SMILESCCC1=CC(Cl)=C(F)CC1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-8(10)7(9)5-6/h5H,2-4H2,1H3
InChIKeyRPHDYOLYJYIZDI-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene (CID 89221400) is 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene is CCC1=CC(Cl)=C(F)CC1.
What is the InChIKey of 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene?
The InChIKey is RPHDYOLYJYIZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-3-4-8(10)7(9)5-6/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene?
2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 89221400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).