1,1-difluoro-2-methylcyclopropane

C4H5F2+ — CID 100936605

IUPAC1,1-difluoro-2-methylcyclopropane
SMILES[CH2+]C1CC1(F)F
InChIInChI=1S/C4H5F2/c1-3-2-4(3,5)6/h3H,1-2H2/q+1
InChIKeyLUWLYGWPNJZHCQ-UHFFFAOYSA-N
MW91.08 g/mol
LogP1.48
Rot. Bonds

About 1,1-difluoro-2-methylcyclopropane

1,1-difluoro-2-methylcyclopropane (PubChem CID 100936605) has the molecular formula C4H5F2+ and a molecular weight of 91.08 g/mol. Its IUPAC name is 1,1-difluoro-2-methylcyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-methylcyclopropane
PubChem CID100936605
Molecular FormulaC4H5F2+
Molecular Weight91.08 g/mol
Exact Mass91.04
IUPAC Name1,1-difluoro-2-methylcyclopropane
SMILES[CH2+]C1CC1(F)F
InChIInChI=1S/C4H5F2/c1-3-2-4(3,5)6/h3H,1-2H2/q+1
InChIKeyLUWLYGWPNJZHCQ-UHFFFAOYSA-N
XLogP1.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.08
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylcyclopropane?
The IUPAC name of 1,1-difluoro-2-methylcyclopropane (CID 100936605) is 1,1-difluoro-2-methylcyclopropane.
What is the SMILES notation for 1,1-difluoro-2-methylcyclopropane?
The canonical SMILES for 1,1-difluoro-2-methylcyclopropane is [CH2+]C1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-methylcyclopropane?
The InChIKey is LUWLYGWPNJZHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2/c1-3-2-4(3,5)6/h3H,1-2H2/q+1.
What are the key properties of 1,1-difluoro-2-methylcyclopropane?
1,1-difluoro-2-methylcyclopropane has a molecular weight of 91.08 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylcyclopropane is sourced from PubChem (CID 100936605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).