5-chloro-6-fluoro-3,3-dimethylcyclohexene

C8H12ClF — CID 163600943

IUPAC5-chloro-6-fluoro-3,3-dimethylcyclohexene
SMILESCC1(C)C=CC(F)C(Cl)C1
InChIInChI=1S/C8H12ClF/c1-8(2)4-3-7(10)6(9)5-8/h3-4,6-7H,5H2,1-2H3
InChIKeyGXOXBLCYWWYWRU-UHFFFAOYSA-N
MW162.63 g/mol
LogP2.92
Rot. Bonds

About 5-chloro-6-fluoro-3,3-dimethylcyclohexene

5-chloro-6-fluoro-3,3-dimethylcyclohexene (PubChem CID 163600943) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is 5-chloro-6-fluoro-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name5-chloro-6-fluoro-3,3-dimethylcyclohexene
PubChem CID163600943
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name5-chloro-6-fluoro-3,3-dimethylcyclohexene
SMILESCC1(C)C=CC(F)C(Cl)C1
InChIInChI=1S/C8H12ClF/c1-8(2)4-3-7(10)6(9)5-8/h3-4,6-7H,5H2,1-2H3
InChIKeyGXOXBLCYWWYWRU-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-chloro-5-[(E)-2-chloroethenyl]-1-(chloromethyl)-5-methylcyclohexene
CID 22832150
1-Chloro-4,4-dimethylcyclohex-1-ene
CID 12668507
5-Dimethylchlorocyclohexene
CID 12668510
3-Chloro-1,5,5-trimethylcyclohex-1-ene
CID 65174084
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
6-Chloro-1-fluoro-3-methylcyclohexene
CID 89143029
(Z)-11-chloro-1,1,1,2,2-pentafluoro-8,8,10,10-tetramethylundec-5-ene
CID 89198944
6-Chloro-1-fluoro-5-methylcyclohexene
CID 90876325
6-Chloro-6-fluoro-4,7,7-trimethyl-4-prop-1-enyloct-2-ene
CID 137391128
5-Chloro-6-ethyl-1-fluoro-6-methylcyclohexa-1,3-diene
CID 137508008
(6S)-6-chloro-1-fluoro-3-methylcyclohexene
CID 138749820
(4R)-5-chloro-3-fluoro-4-methylcyclohexene
CID 139317793

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-3,3-dimethylcyclohexene?
The IUPAC name of 5-chloro-6-fluoro-3,3-dimethylcyclohexene (CID 163600943) is 5-chloro-6-fluoro-3,3-dimethylcyclohexene.
What is the SMILES notation for 5-chloro-6-fluoro-3,3-dimethylcyclohexene?
The canonical SMILES for 5-chloro-6-fluoro-3,3-dimethylcyclohexene is CC1(C)C=CC(F)C(Cl)C1.
What is the InChIKey of 5-chloro-6-fluoro-3,3-dimethylcyclohexene?
The InChIKey is GXOXBLCYWWYWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF/c1-8(2)4-3-7(10)6(9)5-8/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-chloro-6-fluoro-3,3-dimethylcyclohexene?
5-chloro-6-fluoro-3,3-dimethylcyclohexene has a molecular weight of 162.63 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-3,3-dimethylcyclohexene is sourced from PubChem (CID 163600943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).