1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane

C8H11F3 — CID 137394531

IUPAC1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane
SMILESC=C(C)CC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6(2)5-7(3-4-7)8(9,10)11/h1,3-5H2,2H3
InChIKeyIBOMFQGVGAUSPG-UHFFFAOYSA-N
MW164.17 g/mol
LogP3.30
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane

1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane (PubChem CID 137394531) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane
PubChem CID137394531
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane
SMILESC=C(C)CC1(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3/c1-6(2)5-7(3-4-7)8(9,10)11/h1,3-5H2,2H3
InChIKeyIBOMFQGVGAUSPG-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 53.30
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-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane (CID 137394531) is 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane is C=C(C)CC1(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane?
The InChIKey is IBOMFQGVGAUSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-6(2)5-7(3-4-7)8(9,10)11/h1,3-5H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane?
1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane has a molecular weight of 164.17 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 137394531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).