1-(difluoromethyl)-2,3-dimethylcyclopropene

C6H8F2 — CID 58816590

IUPAC1-(difluoromethyl)-2,3-dimethylcyclopropene
SMILESCC1=C(C(F)F)C1C
InChIInChI=1S/C6H8F2/c1-3-4(2)5(3)6(7)8/h3,6H,1-2H3
InChIKeyQFCJFUXUSJZEIA-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.22
Rot. Bonds1

About 1-(difluoromethyl)-2,3-dimethylcyclopropene

1-(difluoromethyl)-2,3-dimethylcyclopropene (PubChem CID 58816590) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,3-dimethylcyclopropene.

Molecular Properties

Compound Name1-(difluoromethyl)-2,3-dimethylcyclopropene
PubChem CID58816590
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name1-(difluoromethyl)-2,3-dimethylcyclopropene
SMILESCC1=C(C(F)F)C1C
InChIInChI=1S/C6H8F2/c1-3-4(2)5(3)6(7)8/h3,6H,1-2H3
InChIKeyQFCJFUXUSJZEIA-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.22
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-(difluoromethyl)-2,3-dimethylcyclopropene?
The IUPAC name of 1-(difluoromethyl)-2,3-dimethylcyclopropene (CID 58816590) is 1-(difluoromethyl)-2,3-dimethylcyclopropene.
What is the SMILES notation for 1-(difluoromethyl)-2,3-dimethylcyclopropene?
The canonical SMILES for 1-(difluoromethyl)-2,3-dimethylcyclopropene is CC1=C(C(F)F)C1C.
What is the InChIKey of 1-(difluoromethyl)-2,3-dimethylcyclopropene?
The InChIKey is QFCJFUXUSJZEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-3-4(2)5(3)6(7)8/h3,6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-2,3-dimethylcyclopropene?
1-(difluoromethyl)-2,3-dimethylcyclopropene has a molecular weight of 118.13 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,3-dimethylcyclopropene is sourced from PubChem (CID 58816590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).