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

C8H10ClF — CID 91603435

IUPAC4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene
SMILESCCC1=CC=C(Cl)C(F)C1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8H,2,5H2,1H3
InChIKeyRSBXFCJNCAJKIU-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.19
Rot. Bonds1

About 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene

4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene (PubChem CID 91603435) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene
PubChem CID91603435
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene
SMILESCCC1=CC=C(Cl)C(F)C1
InChIInChI=1S/C8H10ClF/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8H,2,5H2,1H3
InChIKeyRSBXFCJNCAJKIU-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene (CID 91603435) is 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene is CCC1=CC=C(Cl)C(F)C1.
What is the InChIKey of 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene?
The InChIKey is RSBXFCJNCAJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c1-2-6-3-4-7(9)8(10)5-6/h3-4,8H,2,5H2,1H3.
What are the key properties of 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene?
4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 91603435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).