(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene

C9H10F2 — CID 89121593

IUPAC(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene
SMILESCC1C2C[C@@H]1C(F)=CC=C2F
InChIInChI=1S/C9H10F2/c1-5-6-4-7(5)9(11)3-2-8(6)10/h2-3,5-7H,4H2,1H3/t5?,6-,7?/m0/s1
InChIKeyIFGLWLSQPPAERY-HUDPQJTASA-N
MW156.18 g/mol
LogP2.98
Rot. Bonds

About (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene

(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene (PubChem CID 89121593) has the molecular formula C9H10F2 and a molecular weight of 156.18 g/mol. Its IUPAC name is (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene.

Molecular Properties

Compound Name(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene
PubChem CID89121593
Molecular FormulaC9H10F2
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene
SMILESCC1C2C[C@@H]1C(F)=CC=C2F
InChIInChI=1S/C9H10F2/c1-5-6-4-7(5)9(11)3-2-8(6)10/h2-3,5-7H,4H2,1H3/t5?,6-,7?/m0/s1
InChIKeyIFGLWLSQPPAERY-HUDPQJTASA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-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 (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene?
The IUPAC name of (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene (CID 89121593) is (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene.
What is the SMILES notation for (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene?
The canonical SMILES for (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene is CC1C2C[C@@H]1C(F)=CC=C2F.
What is the InChIKey of (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene?
The InChIKey is IFGLWLSQPPAERY-HUDPQJTASA-N. The full InChI is InChI=1S/C9H10F2/c1-5-6-4-7(5)9(11)3-2-8(6)10/h2-3,5-7H,4H2,1H3/t5?,6-,7?/m0/s1.
What are the key properties of (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene?
(6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene has a molecular weight of 156.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,5-difluoro-7-methylbicyclo[4.1.1]octa-2,4-diene is sourced from PubChem (CID 89121593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).