1-methylcyclopropene;1-(trifluoromethyl)cyclopropene

C8H9F3 — CID 159098895

IUPAC1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
SMILESCC1=CC1.FC(F)(F)C1=CC1
InChIInChI=1S/C4H3F3.C4H6/c5-4(6,7)3-1-2-3;1-4-2-3-4/h1H,2H2;2H,3H2,1H3
InChIKeyKDAHDVVZTBONEV-UHFFFAOYSA-N
MW162.15 g/mol
LogP3.22
Rot. Bonds

About 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene

1-methylcyclopropene;1-(trifluoromethyl)cyclopropene (PubChem CID 159098895) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene.

Molecular Properties

Compound Name1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
PubChem CID159098895
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name1-methylcyclopropene;1-(trifluoromethyl)cyclopropene
SMILESCC1=CC1.FC(F)(F)C1=CC1
InChIInChI=1S/C4H3F3.C4H6/c5-4(6,7)3-1-2-3;1-4-2-3-4/h1H,2H2;2H,3H2,1H3
InChIKeyKDAHDVVZTBONEV-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 53.22
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-methylcyclopropene;1-(trifluoromethyl)cyclopropene?
The IUPAC name of 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene (CID 159098895) is 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene.
What is the SMILES notation for 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene?
The canonical SMILES for 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene is CC1=CC1.FC(F)(F)C1=CC1.
What is the InChIKey of 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene?
The InChIKey is KDAHDVVZTBONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3.C4H6/c5-4(6,7)3-1-2-3;1-4-2-3-4/h1H,2H2;2H,3H2,1H3.
What are the key properties of 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene?
1-methylcyclopropene;1-(trifluoromethyl)cyclopropene has a molecular weight of 162.15 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropene;1-(trifluoromethyl)cyclopropene is sourced from PubChem (CID 159098895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).