3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane

C7H6F6 — CID 87070308

IUPAC3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane
SMILESCC1CC(=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-2-4(5(8)9)7(12,13)6(3,10)11/h3H,2H2,1H3
InChIKeyXASCZFJDADRGCU-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.45
Rot. Bonds

About 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane

3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane (PubChem CID 87070308) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane.

Molecular Properties

Compound Name3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane
PubChem CID87070308
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane
SMILESCC1CC(=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H6F6/c1-3-2-4(5(8)9)7(12,13)6(3,10)11/h3H,2H2,1H3
InChIKeyXASCZFJDADRGCU-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane?
The IUPAC name of 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane (CID 87070308) is 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane.
What is the SMILES notation for 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane?
The canonical SMILES for 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane is CC1CC(=C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane?
The InChIKey is XASCZFJDADRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3-2-4(5(8)9)7(12,13)6(3,10)11/h3H,2H2,1H3.
What are the key properties of 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane?
3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane has a molecular weight of 204.11 g/mol, XLogP of 3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)-1,1,2,2-tetrafluoro-5-methylcyclopentane is sourced from PubChem (CID 87070308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).