3,3-difluoro-1,2,4-trimethylcyclopentene

C8H12F2 — CID 139425210

IUPAC3,3-difluoro-1,2,4-trimethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(C)C1
InChIInChI=1S/C8H12F2/c1-5-4-6(2)8(9,10)7(5)3/h6H,4H2,1-3H3
InChIKeyCNXKKWKCCLEAQI-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.00
Rot. Bonds

About 3,3-difluoro-1,2,4-trimethylcyclopentene

3,3-difluoro-1,2,4-trimethylcyclopentene (PubChem CID 139425210) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 3,3-difluoro-1,2,4-trimethylcyclopentene.

Molecular Properties

Compound Name3,3-difluoro-1,2,4-trimethylcyclopentene
PubChem CID139425210
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name3,3-difluoro-1,2,4-trimethylcyclopentene
SMILESCC1=C(C)C(F)(F)C(C)C1
InChIInChI=1S/C8H12F2/c1-5-4-6(2)8(9,10)7(5)3/h6H,4H2,1-3H3
InChIKeyCNXKKWKCCLEAQI-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2,4-trimethylcyclopentene?
The IUPAC name of 3,3-difluoro-1,2,4-trimethylcyclopentene (CID 139425210) is 3,3-difluoro-1,2,4-trimethylcyclopentene.
What is the SMILES notation for 3,3-difluoro-1,2,4-trimethylcyclopentene?
The canonical SMILES for 3,3-difluoro-1,2,4-trimethylcyclopentene is CC1=C(C)C(F)(F)C(C)C1.
What is the InChIKey of 3,3-difluoro-1,2,4-trimethylcyclopentene?
The InChIKey is CNXKKWKCCLEAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5-4-6(2)8(9,10)7(5)3/h6H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-1,2,4-trimethylcyclopentene?
3,3-difluoro-1,2,4-trimethylcyclopentene has a molecular weight of 146.18 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 3,3-difluoro-1,2,4-trimethylcyclopentene is sourced from PubChem (CID 139425210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).