3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene

C7H8F4 — CID 59771961

IUPAC3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(F)(F)CC1(F)F
InChIInChI=1S/C7H8F4/c1-4-5(2)7(10,11)3-6(4,8)9/h3H2,1-2H3
InChIKeyOWDSBUTXMKJFMU-UHFFFAOYSA-N
MW168.13 g/mol
LogP3.00
Rot. Bonds

About 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene

3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene (PubChem CID 59771961) has the molecular formula C7H8F4 and a molecular weight of 168.13 g/mol. Its IUPAC name is 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene.

Molecular Properties

Compound Name3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene
PubChem CID59771961
Molecular FormulaC7H8F4
Molecular Weight168.13 g/mol
Exact Mass168.06
IUPAC Name3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene
SMILESCC1=C(C)C(F)(F)CC1(F)F
InChIInChI=1S/C7H8F4/c1-4-5(2)7(10,11)3-6(4,8)9/h3H2,1-2H3
InChIKeyOWDSBUTXMKJFMU-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
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 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene?
The IUPAC name of 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene (CID 59771961) is 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene.
What is the SMILES notation for 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene?
The canonical SMILES for 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene is CC1=C(C)C(F)(F)CC1(F)F.
What is the InChIKey of 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene?
The InChIKey is OWDSBUTXMKJFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4/c1-4-5(2)7(10,11)3-6(4,8)9/h3H2,1-2H3.
What are the key properties of 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene?
3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene has a molecular weight of 168.13 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 3,3,5,5-tetrafluoro-1,2-dimethylcyclopentene is sourced from PubChem (CID 59771961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).