2,2-difluorocyclopropane-1-carbaldehyde

C4H4F2O — CID 20698456

IUPAC2,2-difluorocyclopropane-1-carbaldehyde
SMILESO=CC1CC1(F)F
InChIInChI=1S/C4H4F2O/c5-4(6)1-3(4)2-7/h2-3H,1H2
InChIKeyCOMTUQUKBYLVTF-UHFFFAOYSA-N
MW106.07 g/mol
LogP0.84
Rot. Bonds1

About 2,2-difluorocyclopropane-1-carbaldehyde

2,2-difluorocyclopropane-1-carbaldehyde (PubChem CID 20698456) has the molecular formula C4H4F2O and a molecular weight of 106.07 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-carbaldehyde
PubChem CID20698456
Molecular FormulaC4H4F2O
Molecular Weight106.07 g/mol
Exact Mass106.02
IUPAC Name2,2-difluorocyclopropane-1-carbaldehyde
SMILESO=CC1CC1(F)F
InChIInChI=1S/C4H4F2O/c5-4(6)1-3(4)2-7/h2-3H,1H2
InChIKeyCOMTUQUKBYLVTF-UHFFFAOYSA-N
XLogP0.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.07
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-carbaldehyde?
The IUPAC name of 2,2-difluorocyclopropane-1-carbaldehyde (CID 20698456) is 2,2-difluorocyclopropane-1-carbaldehyde.
What is the SMILES notation for 2,2-difluorocyclopropane-1-carbaldehyde?
The canonical SMILES for 2,2-difluorocyclopropane-1-carbaldehyde is O=CC1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-carbaldehyde?
The InChIKey is COMTUQUKBYLVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2O/c5-4(6)1-3(4)2-7/h2-3H,1H2.
What are the key properties of 2,2-difluorocyclopropane-1-carbaldehyde?
2,2-difluorocyclopropane-1-carbaldehyde has a molecular weight of 106.07 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-carbaldehyde is sourced from PubChem (CID 20698456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).