2-fluoro-1,4-dimethylcyclohexene

C8H13F — CID 22942559

IUPAC2-fluoro-1,4-dimethylcyclohexene
SMILESCC1=C(F)CC(C)CC1
InChIInChI=1S/C8H13F/c1-6-3-4-7(2)8(9)5-6/h6H,3-5H2,1-2H3
InChIKeyCROKKJCBPVRHHF-UHFFFAOYSA-N
MW128.19 g/mol
LogP3.05
Rot. Bonds

About 2-fluoro-1,4-dimethylcyclohexene

2-fluoro-1,4-dimethylcyclohexene (PubChem CID 22942559) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylcyclohexene.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylcyclohexene
PubChem CID22942559
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name2-fluoro-1,4-dimethylcyclohexene
SMILESCC1=C(F)CC(C)CC1
InChIInChI=1S/C8H13F/c1-6-3-4-7(2)8(9)5-6/h6H,3-5H2,1-2H3
InChIKeyCROKKJCBPVRHHF-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylcyclohexene?
The IUPAC name of 2-fluoro-1,4-dimethylcyclohexene (CID 22942559) is 2-fluoro-1,4-dimethylcyclohexene.
What is the SMILES notation for 2-fluoro-1,4-dimethylcyclohexene?
The canonical SMILES for 2-fluoro-1,4-dimethylcyclohexene is CC1=C(F)CC(C)CC1.
What is the InChIKey of 2-fluoro-1,4-dimethylcyclohexene?
The InChIKey is CROKKJCBPVRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-6-3-4-7(2)8(9)5-6/h6H,3-5H2,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylcyclohexene?
2-fluoro-1,4-dimethylcyclohexene has a molecular weight of 128.19 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylcyclohexene is sourced from PubChem (CID 22942559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).