2-fluoro-1,3-dimethylcyclohexa-1,3-diene

C8H11F — CID 23511545

IUPAC2-fluoro-1,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCCC(C)=C1F
InChIInChI=1S/C8H11F/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3
InChIKeyXFLVNNSSWZJCLZ-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.97
Rot. Bonds

About 2-fluoro-1,3-dimethylcyclohexa-1,3-diene

2-fluoro-1,3-dimethylcyclohexa-1,3-diene (PubChem CID 23511545) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethylcyclohexa-1,3-diene
PubChem CID23511545
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name2-fluoro-1,3-dimethylcyclohexa-1,3-diene
SMILESCC1=CCCC(C)=C1F
InChIInChI=1S/C8H11F/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3
InChIKeyXFLVNNSSWZJCLZ-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-1,3-dimethylcyclohexa-1,3-diene (CID 23511545) is 2-fluoro-1,3-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-1,3-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-1,3-dimethylcyclohexa-1,3-diene is CC1=CCCC(C)=C1F.
What is the InChIKey of 2-fluoro-1,3-dimethylcyclohexa-1,3-diene?
The InChIKey is XFLVNNSSWZJCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-6-4-3-5-7(2)8(6)9/h4H,3,5H2,1-2H3.
What are the key properties of 2-fluoro-1,3-dimethylcyclohexa-1,3-diene?
2-fluoro-1,3-dimethylcyclohexa-1,3-diene has a molecular weight of 126.17 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 23511545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).