1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene

C7H6F6 — CID 23233531

IUPAC1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene
SMILESCC1=C(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h1-2H3
InChIKeyGLPTVZHCCRLEGE-UHFFFAOYSA-N
MW204.11 g/mol
LogP3.45
Rot. Bonds

About 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene

1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene (PubChem CID 23233531) has the molecular formula C7H6F6 and a molecular weight of 204.11 g/mol. Its IUPAC name is 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene
PubChem CID23233531
Molecular FormulaC7H6F6
Molecular Weight204.11 g/mol
Exact Mass204.04
IUPAC Name1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene
SMILESCC1=C(C)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h1-2H3
InChIKeyGLPTVZHCCRLEGE-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene?
The IUPAC name of 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene (CID 23233531) is 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene?
The canonical SMILES for 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene is CC1=C(C)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene?
The InChIKey is GLPTVZHCCRLEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6/c1-3-4(2)5(3,6(8,9)10)7(11,12)13/h1-2H3.
What are the key properties of 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene?
1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene 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 1,2-dimethyl-3,3-bis(trifluoromethyl)cyclopropene is sourced from PubChem (CID 23233531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).