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

C8H10ClF — CID 142010117

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

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

2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene (PubChem CID 142010117) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene
PubChem CID142010117
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene
SMILESCCC1=C(Cl)C=C(F)CC1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-7(10)5-8(6)9/h5H,2-4H2,1H3
InChIKeyFHUKOBRNMLRSLN-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

Analyze 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene?
The IUPAC name of 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene (CID 142010117) is 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene?
The canonical SMILES for 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene is CCC1=C(Cl)C=C(F)CC1.
What is the InChIKey of 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene?
The InChIKey is FHUKOBRNMLRSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-3-4-7(10)5-8(6)9/h5H,2-4H2,1H3.
What are the key properties of 2-chloro-1-ethyl-4-fluorocyclohexa-1,3-diene?
2-chloro-1-ethyl-4-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-1-ethyl-4-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 142010117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).