1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene

C12H16F6 — CID 59350966

IUPAC1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene
SMILESCC(C)(C)CC1=CCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6/c1-9(2,3)7-8-5-4-6-10(8,11(13,14)15)12(16,17)18/h5H,4,6-7H2,1-3H3
InChIKeyHTWMIXVFNOWAKO-UHFFFAOYSA-N
MW274.25 g/mol
LogP5.25
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene

1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene (PubChem CID 59350966) has the molecular formula C12H16F6 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene
PubChem CID59350966
Molecular FormulaC12H16F6
Molecular Weight274.25 g/mol
Exact Mass274.12
IUPAC Name1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene
SMILESCC(C)(C)CC1=CCCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H16F6/c1-9(2,3)7-8-5-4-6-10(8,11(13,14)15)12(16,17)18/h5H,4,6-7H2,1-3H3
InChIKeyHTWMIXVFNOWAKO-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.25
LogP ≤ 55.25
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-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene?
The IUPAC name of 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene (CID 59350966) is 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene is CC(C)(C)CC1=CCCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene?
The InChIKey is HTWMIXVFNOWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6/c1-9(2,3)7-8-5-4-6-10(8,11(13,14)15)12(16,17)18/h5H,4,6-7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene?
1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene has a molecular weight of 274.25 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-5,5-bis(trifluoromethyl)cyclopentene is sourced from PubChem (CID 59350966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).