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

C7H8ClF — CID 89355569

IUPAC(5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=C(F)C(Cl)=CC1
InChIInChI=1S/C7H8ClF/c1-5-2-3-6(8)7(9)4-5/h3-5H,2H2,1H3/t5-/m1/s1
InChIKeyKVZUTFHEFDVCTE-RXMQYKEDSA-N
MW146.59 g/mol
LogP3.00
Rot. Bonds

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

(5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene (PubChem CID 89355569) has the molecular formula C7H8ClF and a molecular weight of 146.59 g/mol. Its IUPAC name is (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene
PubChem CID89355569
Molecular FormulaC7H8ClF
Molecular Weight146.59 g/mol
Exact Mass146.03
IUPAC Name(5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene
SMILESC[C@H]1C=C(F)C(Cl)=CC1
InChIInChI=1S/C7H8ClF/c1-5-2-3-6(8)7(9)4-5/h3-5H,2H2,1H3/t5-/m1/s1
InChIKeyKVZUTFHEFDVCTE-RXMQYKEDSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.59
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene?
The IUPAC name of (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene (CID 89355569) is (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene.
What is the SMILES notation for (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene?
The canonical SMILES for (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene is C[C@H]1C=C(F)C(Cl)=CC1.
What is the InChIKey of (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene?
The InChIKey is KVZUTFHEFDVCTE-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8ClF/c1-5-2-3-6(8)7(9)4-5/h3-5H,2H2,1H3/t5-/m1/s1.
What are the key properties of (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene?
(5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene has a molecular weight of 146.59 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-chloro-3-fluoro-5-methylcyclohexa-1,3-diene is sourced from PubChem (CID 89355569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).