5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene

C8H10ClF — CID 173483115

IUPAC5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CCC(CCCl)C=C1
InChIInChI=1S/C8H10ClF/c9-6-5-7-1-3-8(10)4-2-7/h1,3-4,7H,2,5-6H2
InChIKeyUNBQEPXXCTUIQN-UHFFFAOYSA-N
MW160.62 g/mol
LogP3.04
Rot. Bonds2

About 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene

5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene (PubChem CID 173483115) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene
PubChem CID173483115
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene
SMILESFC1=CCC(CCCl)C=C1
InChIInChI=1S/C8H10ClF/c9-6-5-7-1-3-8(10)4-2-7/h1,3-4,7H,2,5-6H2
InChIKeyUNBQEPXXCTUIQN-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene (CID 173483115) is 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene is FC1=CCC(CCCl)C=C1.
What is the InChIKey of 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene?
The InChIKey is UNBQEPXXCTUIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF/c9-6-5-7-1-3-8(10)4-2-7/h1,3-4,7H,2,5-6H2.
What are the key properties of 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene?
5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene has a molecular weight of 160.62 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethyl)-2-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 173483115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).