1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane

C7H6F6 — CID 121356771

IUPAC1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane
SMILESC=C1CC(F)(F)C(F)(C(F)(F)F)C1
InChIInChI=1S/C7H6F6/c1-4-2-5(8,7(11,12)13)6(9,10)3-4/h1-3H2
InChIKeyZFQPCRGSCPDBII-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.24
Rot. Bonds

About 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane

1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane (PubChem CID 121356771) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane
PubChem CID121356771
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane
SMILESC=C1CC(F)(F)C(F)(C(F)(F)F)C1
InChIInChI=1S/C7H6F6/c1-4-2-5(8,7(11,12)13)6(9,10)3-4/h1-3H2
InChIKeyZFQPCRGSCPDBII-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
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 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane?
The IUPAC name of 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane (CID 121356771) is 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane is C=C1CC(F)(F)C(F)(C(F)(F)F)C1.
What is the InChIKey of 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane?
The InChIKey is ZFQPCRGSCPDBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-4-2-5(8,7(11,12)13)6(9,10)3-4/h1-3H2.
What are the key properties of 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane?
1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane has a molecular weight of 204.11 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-4-methylidene-2-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 121356771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).