(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene

C8H9Cl2F — CID 89189799

IUPAC(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene
SMILESCCC1C=CC(Cl)=C(F)[C@@H]1Cl
InChIInChI=1S/C8H9Cl2F/c1-2-5-3-4-6(9)8(11)7(5)10/h3-5,7H,2H2,1H3/t5?,7-/m1/s1
InChIKeyIDLIITGJVSQZNS-NQPNHJOESA-N
MW195.06 g/mol
LogP3.61
Rot. Bonds1

About (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene

(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene (PubChem CID 89189799) has the molecular formula C8H9Cl2F and a molecular weight of 195.06 g/mol. Its IUPAC name is (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene
PubChem CID89189799
Molecular FormulaC8H9Cl2F
Molecular Weight195.06 g/mol
Exact Mass194.01
IUPAC Name(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene
SMILESCCC1C=CC(Cl)=C(F)[C@@H]1Cl
InChIInChI=1S/C8H9Cl2F/c1-2-5-3-4-6(9)8(11)7(5)10/h3-5,7H,2H2,1H3/t5?,7-/m1/s1
InChIKeyIDLIITGJVSQZNS-NQPNHJOESA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
6-[(E)-3-chloroprop-2-enyl]-1,6-difluorocyclohexa-1,3-diene
CID 21113197
5-[(E)-3-chloroprop-2-enyl]-1,5-difluorocyclohexa-1,3-diene
CID 21113198
2-chloro-5-[(E)-3-chloroprop-2-enyl]-5-fluorocyclohexa-1,3-diene
CID 21113199
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
1-Chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69945909
1-Chloro-5-ethyl-2-fluorocyclohexa-1,3-diene
CID 69946131
6-Chloro-3-fluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 70355974
1-(2-Chloro-ethyl)-4-fluorophenyl hydrochloride
CID 86673105
(5S)-1-chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 89066187
5-Chloro-2-fluoro-1-methylcyclohexa-1,3-diene
CID 89311761

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene?
The IUPAC name of (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene (CID 89189799) is (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene?
The canonical SMILES for (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene is CCC1C=CC(Cl)=C(F)[C@@H]1Cl.
What is the InChIKey of (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene?
The InChIKey is IDLIITGJVSQZNS-NQPNHJOESA-N. The full InChI is InChI=1S/C8H9Cl2F/c1-2-5-3-4-6(9)8(11)7(5)10/h3-5,7H,2H2,1H3/t5?,7-/m1/s1.
What are the key properties of (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene?
(6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene has a molecular weight of 195.06 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dichloro-5-ethyl-1-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 89189799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).