(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene

C7H7Cl2F — CID 89474229

IUPAC(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC(Cl)=C(F)[C@@H]1Cl
InChIInChI=1S/C7H7Cl2F/c1-4-2-3-5(8)7(10)6(4)9/h2-4,6H,1H3/t4?,6-/m1/s1
InChIKeyXOLUTPUGXWYGRM-BAFYGKSASA-N
MW181.04 g/mol
LogP3.22
Rot. Bonds

About (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene

(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 89474229) has the molecular formula C7H7Cl2F and a molecular weight of 181.04 g/mol. Its IUPAC name is (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID89474229
Molecular FormulaC7H7Cl2F
Molecular Weight181.04 g/mol
Exact Mass179.99
IUPAC Name(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene
SMILESCC1C=CC(Cl)=C(F)[C@@H]1Cl
InChIInChI=1S/C7H7Cl2F/c1-4-2-3-5(8)7(10)6(4)9/h2-4,6H,1H3/t4?,6-/m1/s1
InChIKeyXOLUTPUGXWYGRM-BAFYGKSASA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.04
LogP ≤ 53.22
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

o-Dichlortoluen
CID 66643258
5-Chloro-1-fluorocyclohexa-1,3-diene
CID 18377253
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
5,6-Dichloro-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 67727418
5-Chloro-3-fluoro-2-propan-2-ylcyclohexa-1,3-diene
CID 68102316
(5S)-1,3-dichloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 68330620
5-Chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69033093
1-Chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 69945909
(6S)-2-chloro-1,5-difluoro-6-methylcyclohexa-1,3-diene
CID 70326511
5-Chloro-5-fluoro-6-methylcyclohexa-1,3-diene
CID 70365102
6-Chloro-5-fluoro-2-methylcyclohexa-1,3-diene
CID 89049594
(5S)-1-chloro-2-fluoro-5-methylcyclohexa-1,3-diene
CID 89066187

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene (CID 89474229) is (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene is CC1C=CC(Cl)=C(F)[C@@H]1Cl.
What is the InChIKey of (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is XOLUTPUGXWYGRM-BAFYGKSASA-N. The full InChI is InChI=1S/C7H7Cl2F/c1-4-2-3-5(8)7(10)6(4)9/h2-4,6H,1H3/t4?,6-/m1/s1.
What are the key properties of (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene?
(6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 181.04 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dichloro-1-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89474229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).