2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene

C9H12F2 — CID 130374340

IUPAC2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=C(F)C(F)=CC1
InChIInChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,3H2,1-2H3
InChIKeyFUEVPHWHERZUQV-UHFFFAOYSA-N
MW158.19 g/mol
LogP3.37
Rot. Bonds1

About 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene

2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 130374340) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID130374340
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene
SMILESCC(C)C1C=C(F)C(F)=CC1
InChIInChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,3H2,1-2H3
InChIKeyFUEVPHWHERZUQV-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3-difluoro-5-propan-2-ylcyclohexa-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 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene (CID 130374340) is 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene is CC(C)C1C=C(F)C(F)=CC1.
What is the InChIKey of 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is FUEVPHWHERZUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c1-6(2)7-3-4-8(10)9(11)5-7/h4-7H,3H2,1-2H3.
What are the key properties of 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene?
2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 158.19 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 130374340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).